N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide

C18H22N4O2 — CID 69380102

IUPACN-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C18H22N4O2/c23-17(14-9-5-2-6-10-14)21-15-12-20-22-16(15)18(24)19-11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyNIGAYCMQFZYGFX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.86
Rot. Bonds5

About N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide

N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide (PubChem CID 69380102) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide
PubChem CID69380102
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1[nH]ncc1NC(=O)C1CCCCC1
InChIInChI=1S/C18H22N4O2/c23-17(14-9-5-2-6-10-14)21-15-12-20-22-16(15)18(24)19-11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyNIGAYCMQFZYGFX-UHFFFAOYSA-N
XLogP2.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylcyclopentanecarboxamide
CID 835634
N-[5-(cyclopropylmethylcarbamoyl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide
CID 59733404
N-benzylcyclobutanecarboxamide
CID 730128
N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379298
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
4-(benzylsulfonylamino)-N-cyclopentyl-1H-pyrazole-5-carboxamide
CID 69379072
2-[2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]phenyl]acetic acid
CID 119218278
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
2-[[2-(benzylamino)benzoyl]amino]benzoic acid;2-[[2-(4-carboxybutanoylamino)benzoyl]amino]benzoic acid;2-[[2-(cyclohexanecarbonylamino)benzoyl]amino]benzoic acid
CID 89497805
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
CID 114298121
N-(pyridin-1-ium-3-ylmethyl)cyclohexanecarboxamide chloride
CID 20787052
N-[2-(benzylcarbamoyl)phenyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45013822

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide (CID 69380102) is N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide is O=C(NCc1ccccc1)c1[nH]ncc1NC(=O)C1CCCCC1.
What is the InChIKey of N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is NIGAYCMQFZYGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(14-9-5-2-6-10-14)21-15-12-20-22-16(15)18(24)19-11-13-7-3-1-4-8-13/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide?
N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(cyclohexanecarbonylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69380102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).