(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C19H29N5O3 — CID 146076417

IUPAC(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCc1[nH]ncc1C(C)C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H29N5O3/c1-11(2)15-9-21-22-16(15)10-20-19(25)18-14-8-12(3)27-13(4)17(14)23-24(18)6-7-26-5/h9,11-13H,6-8,10H2,1-5H3,(H,20,25)(H,21,22)/t12-,13+/m0/s1
InChIKeyBCUGFMMZHOTIFQ-QWHCGFSZSA-N
MW375.47 g/mol
LogP2.33
Rot. Bonds7

About (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146076417) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146076417
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCOCCn1nc2c(c1C(=O)NCc1[nH]ncc1C(C)C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H29N5O3/c1-11(2)15-9-21-22-16(15)10-20-19(25)18-14-8-12(3)27-13(4)17(14)23-24(18)6-7-26-5/h9,11-13H,6-8,10H2,1-5H3,(H,20,25)(H,21,22)/t12-,13+/m0/s1
InChIKeyBCUGFMMZHOTIFQ-QWHCGFSZSA-N
XLogP2.33
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5R,7S)-2-(2-methoxyethyl)-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093602
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093834
(5S,7R)-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093618
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093679
(5S,7R)-N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093692
(5S,7R)-N-[(3-hydroxycyclobutyl)methyl]-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093633
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093779
4-[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]-6,6-dimethylpiperazin-2-one
CID 146093697
[(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(5-oxa-2-azaspiro[3.5]non-7-en-2-yl)methanone
CID 146093600
(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093574
(5S,7R)-2-ethyl-5,7-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100238
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146076417) is (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is COCCn1nc2c(c1C(=O)NCc1[nH]ncc1C(C)C)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is BCUGFMMZHOTIFQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-11(2)15-9-21-22-16(15)10-20-19(25)18-14-8-12(3)27-13(4)17(14)23-24(18)6-7-26-5/h9,11-13H,6-8,10H2,1-5H3,(H,20,25)(H,21,22)/t12-,13+/m0/s1.
What are the key properties of (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-2-(2-methoxyethyl)-5,7-dimethyl-N-[(4-propan-2-yl-1H-pyrazol-5-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146076417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).