4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide

C14H24N4O — CID 106104900

IUPAC4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCn1ccc(CCNC(=O)C2CCC(CN)CC2)n1
InChIInChI=1S/C14H24N4O/c1-18-9-7-13(17-18)6-8-16-14(19)12-4-2-11(10-15)3-5-12/h7,9,11-12H,2-6,8,10,15H2,1H3,(H,16,19)
InChIKeySNFLNXFIQFEWDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.84
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 106104900) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID106104900
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCn1ccc(CCNC(=O)C2CCC(CN)CC2)n1
InChIInChI=1S/C14H24N4O/c1-18-9-7-13(17-18)6-8-16-14(19)12-4-2-11(10-15)3-5-12/h7,9,11-12H,2-6,8,10,15H2,1H3,(H,16,19)
InChIKeySNFLNXFIQFEWDE-UHFFFAOYSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106105003
N-[2-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106105238

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 106104900) is 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide is Cn1ccc(CCNC(=O)C2CCC(CN)CC2)n1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is SNFLNXFIQFEWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18-9-7-13(17-18)6-8-16-14(19)12-4-2-11(10-15)3-5-12/h7,9,11-12H,2-6,8,10,15H2,1H3,(H,16,19).
What are the key properties of 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106104900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).