4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C12H18N4O — CID 63101773

IUPAC4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H18N4O/c13-10-8-15-16-11(10)12(17)14-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7,13H2,(H,14,17)(H,15,16)
InChIKeyUVHYCFVPWLWFEU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds4

About 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide

4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 63101773) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID63101773
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H18N4O/c13-10-8-15-16-11(10)12(17)14-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7,13H2,(H,14,17)(H,15,16)
InChIKeyUVHYCFVPWLWFEU-UHFFFAOYSA-N
XLogP1.61
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831989
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
4-amino-N-(2-cyclopentyloxyethyl)-1H-pyrazole-5-carboxamide
CID 55260674
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954225
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62046502
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 63101773) is 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UVHYCFVPWLWFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-10-8-15-16-11(10)12(17)14-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7,13H2,(H,14,17)(H,15,16).
What are the key properties of 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63101773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).