(5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C18H22ClN3O3 — CID 146111268

IUPAC(5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1cc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)ccc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-10-8-13-16(11(2)25-10)21-22-17(13)18(23)20-7-6-12-4-5-14(19)15(9-12)24-3/h4-5,9-11H,6-8H2,1-3H3,(H,20,23)(H,21,22)/t10-,11+/m0/s1
InChIKeyVJOZLIKRTLCUEJ-WDEREUQCSA-N
MW363.85 g/mol
LogP3.07
Rot. Bonds5

About (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146111268) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146111268
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name(5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1cc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)ccc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-10-8-13-16(11(2)25-10)21-22-17(13)18(23)20-7-6-12-4-5-14(19)15(9-12)24-3/h4-5,9-11H,6-8H2,1-3H3,(H,20,23)(H,21,22)/t10-,11+/m0/s1
InChIKeyVJOZLIKRTLCUEJ-WDEREUQCSA-N
XLogP3.07
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,7R)-N-[2-(2-fluoro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111205
(5S,7R)-N-[(3,4-dimethoxyphenyl)methyl]-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146104981
(5S,7R)-N-[(2-methoxy-4-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146105122
(5R,7S)-5,7-dimethyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111463
(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102108
(5R,7S)-5,7-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102507
(5S,7R)-N-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146101797
(5R,7S)-5,7-dimethyl-N-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111581
(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115235
(5R,7S)-N-(3-cyclopropylprop-2-ynyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799425
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 3070848
(5R,7S)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799295

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146111268) is (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is COc1cc(CCNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)ccc1Cl.
What is the InChIKey of (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is VJOZLIKRTLCUEJ-WDEREUQCSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-10-8-13-16(11(2)25-10)21-22-17(13)18(23)20-7-6-12-4-5-14(19)15(9-12)24-3/h4-5,9-11H,6-8H2,1-3H3,(H,20,23)(H,21,22)/t10-,11+/m0/s1.
What are the key properties of (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[2-(4-chloro-3-methoxyphenyl)ethyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146111268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).