2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide

C14H24N4O — CID 104678011

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNCC1(CC(=O)NCCn2cccn2)CCCCC1
InChIInChI=1S/C14H24N4O/c15-12-14(5-2-1-3-6-14)11-13(19)16-8-10-18-9-4-7-17-18/h4,7,9H,1-3,5-6,8,10-12,15H2,(H,16,19)
InChIKeyDYURFSVTYJMICV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.30
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 104678011) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID104678011
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
SMILESNCC1(CC(=O)NCCn2cccn2)CCCCC1
InChIInChI=1S/C14H24N4O/c15-12-14(5-2-1-3-6-14)11-13(19)16-8-10-18-9-4-7-17-18/h4,7,9H,1-3,5-6,8,10-12,15H2,(H,16,19)
InChIKeyDYURFSVTYJMICV-UHFFFAOYSA-N
XLogP1.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24794076
N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
CID 37393188
8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882763
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)-2-cyclopentylethanone
CID 52907327
N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42211584
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 51727993
2-cyclohexyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]acetamide
CID 53624690
3-(1-methyl-2-piperidinyl)-N-[3-(1H-pyrazol-1-yl)propyl]propanamide
CID 72868179
N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 72901117
N-[3-oxo-3-[(3S)-3-pyrazol-1-ylpyrrolidin-1-yl]propyl]cyclohexanecarboxamide
CID 164633115
N-(2-pyrazol-1-ylethyl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 177969685
(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one
CID 134967919

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide (CID 104678011) is 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide is NCC1(CC(=O)NCCn2cccn2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is DYURFSVTYJMICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-12-14(5-2-1-3-6-14)11-13(19)16-8-10-18-9-4-7-17-18/h4,7,9H,1-3,5-6,8,10-12,15H2,(H,16,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 104678011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).