N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

C16H18N6O2 — CID 136609014

IUPACN-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccc(O)cc2[nH]1)N1CCCCC1
InChIInChI=1S/C16H18N6O2/c23-10-4-5-11-12(8-10)19-15(18-11)14-13(9-17-21-14)20-16(24)22-6-2-1-3-7-22/h4-5,8-9,23H,1-3,6-7H2,(H,17,21)(H,18,19)(H,20,24)
InChIKeyPRVQTCGDGWOCKP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.68
Rot. Bonds2

About N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide

N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 136609014) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID136609014
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccc(O)cc2[nH]1)N1CCCCC1
InChIInChI=1S/C16H18N6O2/c23-10-4-5-11-12(8-10)19-15(18-11)14-13(9-17-21-14)20-16(24)22-6-2-1-3-7-22/h4-5,8-9,23H,1-3,6-7H2,(H,17,21)(H,18,19)(H,20,24)
InChIKeyPRVQTCGDGWOCKP-UHFFFAOYSA-N
XLogP2.68
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
CID 135750711
N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide
CID 135501876
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-piperidin-1-ylacetamide
CID 135804579
1-benzyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
CID 136980396
(2,4-difluorophenyl)-[[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamoyl]azanium
CID 143600721
2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfanylbenzamide
CID 136501304
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
CID 135804549
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide
CID 136608966
N-[5-[6-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 143500428
N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 136660705
4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 137043145
butanoic acid;1-cyclopropyl-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
CID 135869575

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide (CID 136609014) is N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is O=C(Nc1cn[nH]c1-c1nc2ccc(O)cc2[nH]1)N1CCCCC1.
What is the InChIKey of N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is PRVQTCGDGWOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-10-4-5-11-12(8-10)19-15(18-11)14-13(9-17-21-14)20-16(24)22-6-2-1-3-7-22/h4-5,8-9,23H,1-3,6-7H2,(H,17,21)(H,18,19)(H,20,24).
What are the key properties of N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide?
N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 136609014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).