(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C15H26N4O2 — CID 146100115

IUPAC(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)NCCN(C)C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C15H26N4O2/c1-6-19-14(15(20)16-7-8-18(4)5)12-9-10(2)21-11(3)13(12)17-19/h10-11H,6-9H2,1-5H3,(H,16,20)/t10-,11+/m0/s1
InChIKeyKAMMTOOBZUWTOF-WDEREUQCSA-N
MW294.40 g/mol
LogP1.22
Rot. Bonds5

About (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146100115) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146100115
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESCCn1nc2c(c1C(=O)NCCN(C)C)C[C@H](C)O[C@@H]2C
InChIInChI=1S/C15H26N4O2/c1-6-19-14(15(20)16-7-8-18(4)5)12-9-10(2)21-11(3)13(12)17-19/h10-11H,6-9H2,1-5H3,(H,16,20)/t10-,11+/m0/s1
InChIKeyKAMMTOOBZUWTOF-WDEREUQCSA-N
XLogP1.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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)-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)-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
(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)-N-[2-(2-cyanophenoxy)ethyl]-2-ethyl-N,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100299
(5R,7S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
CID 146100480
[(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-(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
(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)-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

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146100115) is (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is CCn1nc2c(c1C(=O)NCCN(C)C)C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is KAMMTOOBZUWTOF-WDEREUQCSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-6-19-14(15(20)16-7-8-18(4)5)12-9-10(2)21-11(3)13(12)17-19/h10-11H,6-9H2,1-5H3,(H,16,20)/t10-,11+/m0/s1.
What are the key properties of (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[2-(dimethylamino)ethyl]-2-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146100115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).