2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C12H22ClN3 — CID 62440768

IUPAC2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C(C)C)n1cc(Cl)cn1
InChIInChI=1S/C12H22ClN3/c1-9(2)5-14-7-12(10(3)4)16-8-11(13)6-15-16/h6,8-10,12,14H,5,7H2,1-4H3
InChIKeyVXDYIBUTDMYTHD-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62440768) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62440768
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C(C)C)n1cc(Cl)cn1
InChIInChI=1S/C12H22ClN3/c1-9(2)5-14-7-12(10(3)4)16-8-11(13)6-15-16/h6,8-10,12,14H,5,7H2,1-4H3
InChIKeyVXDYIBUTDMYTHD-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine 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-ethyl-3-methyl-2-(4-methylpyrazol-1-yl)butan-1-amine
CID 62447059
3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81018676
N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine
CID 62449306
N-[[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114854309
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
4-[1-(4-chloropyrazol-1-yl)ethyl]aniline
CID 61263528
3-(4-chloropyrazol-1-yl)butan-2-one
CID 61036179
2-(4-chloropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19538486
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
N-[[2-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62442705
2-(4-chloropyrazol-1-yl)butan-1-amine
CID 25248254

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 62440768) is 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C(C)C)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is VXDYIBUTDMYTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3/c1-9(2)5-14-7-12(10(3)4)16-8-11(13)6-15-16/h6,8-10,12,14H,5,7H2,1-4H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 243.78 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62440768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).