N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide

C17H24N6O3 — CID 155911380

IUPACN-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide
SMILESCc1ccn(CCNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C17H24N6O3/c1-11-3-5-23(21-11)6-4-18-16(25)12-7-13(15(24)8-12)20-17(26)14-9-22(2)10-19-14/h3,5,9-10,12-13,15,24H,4,6-8H2,1-2H3,(H,18,25)(H,20,26)/t12-,13+,15+/m0/s1
InChIKeyGXNLBEGRZFIQKU-GZBFAFLISA-N
MW360.42 g/mol
LogP-0.39
Rot. Bonds6

About N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide

N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide (PubChem CID 155911380) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide
PubChem CID155911380
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide
SMILESCc1ccn(CCNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C17H24N6O3/c1-11-3-5-23(21-11)6-4-18-16(25)12-7-13(15(24)8-12)20-17(26)14-9-22(2)10-19-14/h3,5,9-10,12-13,15,24H,4,6-8H2,1-2H3,(H,18,25)(H,20,26)/t12-,13+,15+/m0/s1
InChIKeyGXNLBEGRZFIQKU-GZBFAFLISA-N
XLogP-0.39
TPSA114.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide (CID 155911380) is N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide is Cc1ccn(CCNC(=O)[C@@H]2C[C@@H](O)[C@H](NC(=O)c3cn(C)cn3)C2)n1.
What is the InChIKey of N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide?
The InChIKey is GXNLBEGRZFIQKU-GZBFAFLISA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-3-5-23(21-11)6-4-18-16(25)12-7-13(15(24)8-12)20-17(26)14-9-22(2)10-19-14/h3,5,9-10,12-13,15,24H,4,6-8H2,1-2H3,(H,18,25)(H,20,26)/t12-,13+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide?
N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-hydroxy-4-[2-(3-methylpyrazol-1-yl)ethylcarbamoyl]cyclopentyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155911380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).