N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C19H24N4O2 — CID 137247147

IUPACN-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H]1NC1CCCC1)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C19H24N4O2/c24-18-8-4-3-7-13(18)16-11-17(23-22-16)19(25)21-15-10-9-14(15)20-12-5-1-2-6-12/h3-4,7-8,11-12,14-15,20,24H,1-2,5-6,9-10H2,(H,21,25)(H,22,23)/t14-,15+/m0/s1
InChIKeyNGFBIJFEHSZWQV-LSDHHAIUSA-N
MW340.43 g/mol
LogP2.58
Rot. Bonds5

About N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 137247147) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID137247147
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H]1NC1CCCC1)c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C19H24N4O2/c24-18-8-4-3-7-13(18)16-11-17(23-22-16)19(25)21-15-10-9-14(15)20-12-5-1-2-6-12/h3-4,7-8,11-12,14-15,20,24H,1-2,5-6,9-10H2,(H,21,25)(H,22,23)/t14-,15+/m0/s1
InChIKeyNGFBIJFEHSZWQV-LSDHHAIUSA-N
XLogP2.58
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136554520
N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 136585265
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(3R,4R)-3-hydroxy-4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone
CID 136988480
N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide
CID 136655088
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
CID 119424765
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 4860087
N-[(1S,2S,4R)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-3-(2-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 162481849

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 137247147) is N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1CC[C@@H]1NC1CCCC1)c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NGFBIJFEHSZWQV-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18-8-4-3-7-13(18)16-11-17(23-22-16)19(25)21-15-10-9-14(15)20-12-5-1-2-6-12/h3-4,7-8,11-12,14-15,20,24H,1-2,5-6,9-10H2,(H,21,25)(H,22,23)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137247147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).