1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide

C21H30N4O — CID 86848638

IUPAC1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN(C)C2CCCCC2)cnn1Cc1ccccc1
InChIInChI=1S/C21H30N4O/c1-17-20(15-23-25(17)16-18-9-5-3-6-10-18)21(26)22-13-14-24(2)19-11-7-4-8-12-19/h3,5-6,9-10,15,19H,4,7-8,11-14,16H2,1-2H3,(H,22,26)
InChIKeyQVOXDMQSVFQKNX-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.23
Rot. Bonds7

About 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide

1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 86848638) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
PubChem CID86848638
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN(C)C2CCCCC2)cnn1Cc1ccccc1
InChIInChI=1S/C21H30N4O/c1-17-20(15-23-25(17)16-18-9-5-3-6-10-18)21(26)22-13-14-24(2)19-11-7-4-8-12-19/h3,5-6,9-10,15,19H,4,7-8,11-14,16H2,1-2H3,(H,22,26)
InChIKeyQVOXDMQSVFQKNX-UHFFFAOYSA-N
XLogP3.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
1-benzyl-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119428406
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546076
N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974570
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide
CID 86934393

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide (CID 86848638) is 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCCN(C)C2CCCCC2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is QVOXDMQSVFQKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17-20(15-23-25(17)16-18-9-5-3-6-10-18)21(26)22-13-14-24(2)19-11-7-4-8-12-19/h3,5-6,9-10,15,19H,4,7-8,11-14,16H2,1-2H3,(H,22,26).
What are the key properties of 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide?
1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86848638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).