(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C17H27N3O3 — CID 146100140

IUPAC(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)N(C)CC1(C)COC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C17H27N3O3/c1-6-20-15(13-7-11(2)23-12(3)14(13)18-20)16(21)19(5)8-17(4)9-22-10-17/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyNZELYDGOOHDMEW-NWDGAFQWSA-N
MW321.42 g/mol
LogP2.03
Rot. Bonds4

About (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146100140) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146100140
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)N(C)CC1(C)COC1)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C17H27N3O3/c1-6-20-15(13-7-11(2)23-12(3)14(13)18-20)16(21)19(5)8-17(4)9-22-10-17/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyNZELYDGOOHDMEW-NWDGAFQWSA-N
XLogP2.03
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100115
[4-(dimethylamino)piperidin-1-yl]-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100155
(5S,7R)-N-[2-(2-cyanophenoxy)ethyl]-2-ethyl-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100299
(4-cyclopropylpiperidin-1-yl)-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100159
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 146100266
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 146100288
(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
(5R,7S)-N-[2-(4-chlorophenoxy)ethyl]-N,2,5,7-tetramethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146093365
(5S,7R)-2-ethyl-5,7-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100267
[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 146100332
3-[1-[(5S,7R)-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonyl]azetidin-3-yl]oxybenzonitrile
CID 146100323
(3-ethyl-3-hydroxyazetidin-1-yl)-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146100395

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146100140) is (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is CCn1nc2c(c1C(=O)N(C)CC1(C)COC1)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is NZELYDGOOHDMEW-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-6-20-15(13-7-11(2)23-12(3)14(13)18-20)16(21)19(5)8-17(4)9-22-10-17/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-2-ethyl-N,5,7-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146100140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).