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

C20H27N3O3 — CID 146102549

IUPAC(5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C20H27N3O3/c1-12-10-14-17(13(2)26-12)22-23-18(14)19(24)21-11-20(3,4)15-8-6-7-9-16(15)25-5/h6-9,12-13H,10-11H2,1-5H3,(H,21,24)(H,22,23)/t12-,13+/m0/s1
InChIKeyYPLGZTLQDVKUTG-QWHCGFSZSA-N
MW357.45 g/mol
LogP3.15
Rot. Bonds5

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

(5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146102549) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146102549
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C20H27N3O3/c1-12-10-14-17(13(2)26-12)22-23-18(14)19(24)21-11-20(3,4)15-8-6-7-9-16(15)25-5/h6-9,12-13H,10-11H2,1-5H3,(H,21,24)(H,22,23)/t12-,13+/m0/s1
InChIKeyYPLGZTLQDVKUTG-QWHCGFSZSA-N
XLogP3.15
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(5R,7S)-5,7-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146105146
(5S,7R)-N-[(5-methoxy-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115459
(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
(5S,7R)-N-[(2-methoxy-4-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146105122
[(5S,7R)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 146102568
(5R,7S)-5,7-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102519
(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111360
(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)-5,7-dimethyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111463
(5R,7S)-5,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102514
(5R,7S)-N-(3-cyclopropylprop-2-ynyl)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 154799425

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146102549) is (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is COc1ccccc1C(C)(C)CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is YPLGZTLQDVKUTG-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12-10-14-17(13(2)26-12)22-23-18(14)19(24)21-11-20(3,4)15-8-6-7-9-16(15)25-5/h6-9,12-13H,10-11H2,1-5H3,(H,21,24)(H,22,23)/t12-,13+/m0/s1.
What are the key properties of (5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[2-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.15, 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-(2-methoxyphenyl)-2-methylpropyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146102549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).