1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine

C13H16ClN3 — CID 114066392

IUPAC1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C13H16ClN3/c1-3-13(15-2)10-4-6-12(7-5-10)17-9-11(14)8-16-17/h4-9,13,15H,3H2,1-2H3
InChIKeyQZLOPIIHNLXVIB-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.20
Rot. Bonds4

About 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine

1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine (PubChem CID 114066392) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine
PubChem CID114066392
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C13H16ClN3/c1-3-13(15-2)10-4-6-12(7-5-10)17-9-11(14)8-16-17/h4-9,13,15H,3H2,1-2H3
InChIKeyQZLOPIIHNLXVIB-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanamine
CID 78937576
2-amino-1-[4-(4-chloropyrazol-1-yl)phenyl]ethanol
CID 117348093
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
CID 105350097
4-(4-chloropyrazol-1-yl)benzaldehyde
CID 61034878
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19584605
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
CID 19538484
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine (CID 114066392) is 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine?
The InChIKey is QZLOPIIHNLXVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-13(15-2)10-4-6-12(7-5-10)17-9-11(14)8-16-17/h4-9,13,15H,3H2,1-2H3.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine?
1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine has a molecular weight of 249.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 114066392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).