2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

C12H20N4O — CID 104617966

IUPAC2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCCCC2N)n[nH]1
InChIInChI=1S/C12H20N4O/c1-2-8-7-11(16-15-8)14-12(17)9-5-3-4-6-10(9)13/h7,9-10H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyPBCMDVOFVYSJNI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide

2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 104617966) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
PubChem CID104617966
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide
SMILESCCc1cc(NC(=O)C2CCCCC2N)n[nH]1
InChIInChI=1S/C12H20N4O/c1-2-8-7-11(16-15-8)14-12(17)9-5-3-4-6-10(9)13/h7,9-10H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyPBCMDVOFVYSJNI-UHFFFAOYSA-N
XLogP1.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 104617951
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2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
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N-(5-ethyl-1H-pyrazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 115644958
N-(5-methyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622450
N-(5-ethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 104619559
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
1-(2,2-dimethylpropanoyl)-N-(5-ethyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115609289
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
2-amino-N-(4,6-dimethyl-2-pyridinyl)cycloheptane-1-carboxamide
CID 114932391
N-(5-ethyl-1H-pyrazol-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104619555

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide (CID 104617966) is 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is CCc1cc(NC(=O)C2CCCCC2N)n[nH]1.
What is the InChIKey of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is PBCMDVOFVYSJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-8-7-11(16-15-8)14-12(17)9-5-3-4-6-10(9)13/h7,9-10H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide?
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-ethyl-1H-pyrazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104617966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).