2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

C11H18N4O — CID 64822050

IUPAC2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H18N4O/c12-10-4-2-1-3-9(10)11(16)13-5-8-6-14-15-7-8/h6-7,9-10H,1-5,12H2,(H,13,16)(H,14,15)
InChIKeyFCLUQPWRTRKAHO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.54
Rot. Bonds3

About 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide

2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 64822050) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID64822050
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H18N4O/c12-10-4-2-1-3-9(10)11(16)13-5-8-6-14-15-7-8/h6-7,9-10H,1-5,12H2,(H,13,16)(H,14,15)
InChIKeyFCLUQPWRTRKAHO-UHFFFAOYSA-N
XLogP0.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 60736218
N-(1H-pyrazol-4-ylmethyl)thiane-2-carboxamide
CID 80595279
N-(1H-pyrazol-4-ylmethyl)piperidine-4-carboxamide
CID 61000741
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
N-(1H-pyrazol-4-ylmethyl)piperidine-3-carboxamide
CID 61000515
N-(1H-pyrazol-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471590
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61004650
1-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80588239
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
CID 64822288

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide (CID 64822050) is 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is FCLUQPWRTRKAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-4-2-1-3-9(10)11(16)13-5-8-6-14-15-7-8/h6-7,9-10H,1-5,12H2,(H,13,16)(H,14,15).
What are the key properties of 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide?
2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).