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

C16H25N3O3 — CID 146115516

IUPAC(5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3(CCO)CCCC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C16H25N3O3/c1-10-9-12-13(11(2)22-10)18-19-14(12)15(21)17-16(7-8-20)5-3-4-6-16/h10-11,20H,3-9H2,1-2H3,(H,17,21)(H,18,19)/t10-,11+/m1/s1
InChIKeySDHBPRJIOCNMAC-MNOVXSKESA-N
MW307.39 g/mol
LogP1.86
Rot. Bonds4

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

(5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146115516) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146115516
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(C(=O)NC3(CCO)CCCC3)n[nH]c2[C@H](C)O1
InChIInChI=1S/C16H25N3O3/c1-10-9-12-13(11(2)22-10)18-19-14(12)15(21)17-16(7-8-20)5-3-4-6-16/h10-11,20H,3-9H2,1-2H3,(H,17,21)(H,18,19)/t10-,11+/m1/s1
InChIKeySDHBPRJIOCNMAC-MNOVXSKESA-N
XLogP1.86
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146115516) is (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is C[C@@H]1Cc2c(C(=O)NC3(CCO)CCCC3)n[nH]c2[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is SDHBPRJIOCNMAC-MNOVXSKESA-N. The full InChI is InChI=1S/C16H25N3O3/c1-10-9-12-13(11(2)22-10)18-19-14(12)15(21)17-16(7-8-20)5-3-4-6-16/h10-11,20H,3-9H2,1-2H3,(H,17,21)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-[1-(2-hydroxyethyl)cyclopentyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146115516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).