1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine

C12H14ClN3 — CID 117344026

IUPAC1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-9(14)8-10-2-4-11(5-3-10)16-12(13)6-7-15-16/h2-7,9H,8,14H2,1H3
InChIKeyZZDPATKAFRJIJE-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine

1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine (PubChem CID 117344026) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine
PubChem CID117344026
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-9(14)8-10-2-4-11(5-3-10)16-12(13)6-7-15-16/h2-7,9H,8,14H2,1H3
InChIKeyZZDPATKAFRJIJE-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine
CID 117317347
4-[4-(5-chloropyrazol-1-yl)phenyl]butan-1-amine
CID 117377989
2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine
CID 117344011
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]propan-2-amine
CID 63816760
1-(4-trimethylsilylphenyl)propan-2-amine
CID 130016681
1-[4-(dichloromethyl)phenyl]propan-2-amine
CID 67566603
2-[4-(2-aminopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117314462
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine (CID 117344026) is 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(-n2nccc2Cl)cc1.
What is the InChIKey of 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine?
The InChIKey is ZZDPATKAFRJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9(14)8-10-2-4-11(5-3-10)16-12(13)6-7-15-16/h2-7,9H,8,14H2,1H3.
What are the key properties of 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine?
1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine has a molecular weight of 235.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117344026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).