2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide

C15H28N4O — CID 80682163

IUPAC2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C15H28N4O/c1-4-7-15(12-16,8-5-2)14(20)17-9-6-13-10-18-19(3)11-13/h10-11H,4-9,12,16H2,1-3H3,(H,17,20)
InChIKeyHMYIQOIWDYNUPW-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.62
Rot. Bonds9

About 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide

2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide (PubChem CID 80682163) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
PubChem CID80682163
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C15H28N4O/c1-4-7-15(12-16,8-5-2)14(20)17-9-6-13-10-18-19(3)11-13/h10-11H,4-9,12,16H2,1-3H3,(H,17,20)
InChIKeyHMYIQOIWDYNUPW-UHFFFAOYSA-N
XLogP1.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 103831501
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589098
2-fluoro-2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 112567841
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide (CID 80682163) is 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide is CCCC(CN)(CCC)C(=O)NCCc1cnn(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide?
The InChIKey is HMYIQOIWDYNUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-7-15(12-16,8-5-2)14(20)17-9-6-13-10-18-19(3)11-13/h10-11H,4-9,12,16H2,1-3H3,(H,17,20).
What are the key properties of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide?
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide has a molecular weight of 280.42 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide is sourced from PubChem (CID 80682163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).