2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide

C13H23ClN4O — CID 106344866

IUPAC2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide
SMILESCCc1nn(CC)c(CNC(C(N)=O)C(C)C)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-9-11(14)10(18(6-2)17-9)7-16-12(8(3)4)13(15)19/h8,12,16H,5-7H2,1-4H3,(H2,15,19)
InChIKeyTWPARGTZGZMCGJ-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.72
Rot. Bonds7

About 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide

2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide (PubChem CID 106344866) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide
PubChem CID106344866
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide
SMILESCCc1nn(CC)c(CNC(C(N)=O)C(C)C)c1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-9-11(14)10(18(6-2)17-9)7-16-12(8(3)4)13(15)19/h8,12,16H,5-7H2,1-4H3,(H2,15,19)
InChIKeyTWPARGTZGZMCGJ-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 113494675
methyl 2-bromo-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]propanoate
CID 103492239
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-cycloheptylethanamine
CID 81388662
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458608
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-one
CID 116708338
5-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]pentan-2-ol
CID 114147580
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-4-methoxybutan-1-ol
CID 106159888
4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573649
(1R)-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81375350
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 83148157
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4,6,6-trimethylheptan-2-one
CID 115778561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide?
The IUPAC name of 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide (CID 106344866) is 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide is CCc1nn(CC)c(CNC(C(N)=O)C(C)C)c1Cl.
What is the InChIKey of 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide?
The InChIKey is TWPARGTZGZMCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-5-9-11(14)10(18(6-2)17-9)7-16-12(8(3)4)13(15)19/h8,12,16H,5-7H2,1-4H3,(H2,15,19).
What are the key properties of 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide?
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide has a molecular weight of 286.81 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 106344866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).