1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide

C12H20N4O — CID 114158937

IUPAC1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1cn[nH]c1
InChIInChI=1S/C12H20N4O/c1-9(10-7-14-15-8-10)16-11(17)12(13)5-3-2-4-6-12/h7-9H,2-6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyKFDDKJMDTZRUJF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.25
Rot. Bonds3

About 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 114158937) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID114158937
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1(N)CCCCC1)c1cn[nH]c1
InChIInChI=1S/C12H20N4O/c1-9(10-7-14-15-8-10)16-11(17)12(13)5-3-2-4-6-12/h7-9H,2-6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyKFDDKJMDTZRUJF-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212912
1-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 103856241
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 114159621
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106215471
1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 106217378
1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119304099
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide (CID 114158937) is 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1(N)CCCCC1)c1cn[nH]c1.
What is the InChIKey of 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is KFDDKJMDTZRUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(10-7-14-15-8-10)16-11(17)12(13)5-3-2-4-6-12/h7-9H,2-6,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114158937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).