5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide

C12H20N4O — CID 54932334

IUPAC5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C12H20N4O/c13-11-10(8-15-16-11)12(17)14-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,17)(H3,13,15,16)
InChIKeyHTRKJOWFHDXPKK-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.69
Rot. Bonds4

About 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide

5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54932334) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
PubChem CID54932334
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C12H20N4O/c13-11-10(8-15-16-11)12(17)14-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,17)(H3,13,15,16)
InChIKeyHTRKJOWFHDXPKK-UHFFFAOYSA-N
XLogP1.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-amino-N-(2-chloroethyl)-1H-pyrazole-4-carboxamide
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3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
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5-amino-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 106432190
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide
CID 107420177
4-amino-N-(2-cyclopentylethyl)-6-methylpyridine-3-carboxamide
CID 81243330
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide (CID 54932334) is 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NCCC1CCCCC1.
What is the InChIKey of 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HTRKJOWFHDXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-11-10(8-15-16-11)12(17)14-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,14,17)(H3,13,15,16).
What are the key properties of 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54932334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).