N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

C16H16N4O2 — CID 136585265

IUPACN-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]1O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H16N4O2/c21-15-6-5-12(15)18-16(22)14-7-13(19-20-14)10-8-17-11-4-2-1-3-9(10)11/h1-4,7-8,12,15,17,21H,5-6H2,(H,18,22)(H,19,20)/t12-,15-/m1/s1
InChIKeyUGSNWWFTLMZJBC-IUODEOHRSA-N
MW296.33 g/mol
LogP1.81
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136585265) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID136585265
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]1O)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H16N4O2/c21-15-6-5-12(15)18-16(22)14-7-13(19-20-14)10-8-17-11-4-2-1-3-9(10)11/h1-4,7-8,12,15,17,21H,5-6H2,(H,18,22)(H,19,20)/t12-,15-/m1/s1
InChIKeyUGSNWWFTLMZJBC-IUODEOHRSA-N
XLogP1.81
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 155954366
3-(1H-indol-3-yl)-N-(1,4,4-trimethylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
CID 154870074
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
3-(1H-indol-3-yl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135954578
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 166327720
N-[(1R,2R)-2-hydroxycyclohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 104927982
N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 137247147
3-(1H-indol-3-yl)-N-[2-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2,3-dihydroindol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 166271743
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (CID 136585265) is N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1CC[C@H]1O)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UGSNWWFTLMZJBC-IUODEOHRSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15-6-5-12(15)18-16(22)14-7-13(19-20-14)10-8-17-11-4-2-1-3-9(10)11/h1-4,7-8,12,15,17,21H,5-6H2,(H,18,22)(H,19,20)/t12-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136585265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).