2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

C14H24N4O — CID 104678666

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)CC2(CN)CCCCC2)c1C
InChIInChI=1S/C14H24N4O/c1-10-11(2)17-18-13(10)16-12(19)8-14(9-15)6-4-3-5-7-14/h3-9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyJACSAASRQULIDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104678666) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID104678666
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCc1[nH]nc(NC(=O)CC2(CN)CCCCC2)c1C
InChIInChI=1S/C14H24N4O/c1-10-11(2)17-18-13(10)16-12(19)8-14(9-15)6-4-3-5-7-14/h3-9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyJACSAASRQULIDE-UHFFFAOYSA-N
XLogP2.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
5-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 104678413
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610162
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205
2-[1-(aminomethyl)cyclobutyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618585
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727167
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106954350
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 104678666) is 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is Cc1[nH]nc(NC(=O)CC2(CN)CCCCC2)c1C.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is JACSAASRQULIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-11(2)17-18-13(10)16-12(19)8-14(9-15)6-4-3-5-7-14/h3-9,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104678666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).