N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide

C18H19N5O2 — CID 154800864

IUPACN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C18H19N5O2/c1-11-8-20-23(10-11)17-14(7-15(17)24)21-18(25)13-9-19-22-16(13)12-5-3-2-4-6-12/h2-6,8-10,14-15,17,24H,7H2,1H3,(H,19,22)(H,21,25)/t14-,15+,17+/m0/s1
InChIKeyGFUKEYUVTPXRMJ-ZMSDIMECSA-N
MW337.38 g/mol
LogP1.69
Rot. Bonds4

About N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 154800864) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID154800864
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C18H19N5O2/c1-11-8-20-23(10-11)17-14(7-15(17)24)21-18(25)13-9-19-22-16(13)12-5-3-2-4-6-12/h2-6,8-10,14-15,17,24H,7H2,1H3,(H,19,22)(H,21,25)/t14-,15+,17+/m0/s1
InChIKeyGFUKEYUVTPXRMJ-ZMSDIMECSA-N
XLogP1.69
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide
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N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide
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CID 60511818
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
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CID 71824647
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
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(1R,2R,3S)-2-(4-methylpyrazol-1-yl)-3-[(3-methylquinoxalin-2-yl)amino]cyclobutan-1-ol
CID 154761521
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 154800864) is N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide is Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cn[nH]c2-c2ccccc2)c1.
What is the InChIKey of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is GFUKEYUVTPXRMJ-ZMSDIMECSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-8-20-23(10-11)17-14(7-15(17)24)21-18(25)13-9-19-22-16(13)12-5-3-2-4-6-12/h2-6,8-10,14-15,17,24H,7H2,1H3,(H,19,22)(H,21,25)/t14-,15+,17+/m0/s1.
What are the key properties of N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154800864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).