1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine

C12H12ClN3 — CID 117339692

IUPAC1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-n3cc(Cl)cn3)cc2)CC1
InChIInChI=1S/C12H12ClN3/c13-10-7-15-16(8-10)11-3-1-9(2-4-11)12(14)5-6-12/h1-4,7-8H,5-6,14H2
InChIKeyIKYGFOXFJPICEH-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.47
Rot. Bonds2

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

1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine (PubChem CID 117339692) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine
PubChem CID117339692
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-n3cc(Cl)cn3)cc2)CC1
InChIInChI=1S/C12H12ClN3/c13-10-7-15-16(8-10)11-3-1-9(2-4-11)12(14)5-6-12/h1-4,7-8H,5-6,14H2
InChIKeyIKYGFOXFJPICEH-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine (CID 117339692) is 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine is NC1(c2ccc(-n3cc(Cl)cn3)cc2)CC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine?
The InChIKey is IKYGFOXFJPICEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-7-15-16(8-10)11-3-1-9(2-4-11)12(14)5-6-12/h1-4,7-8H,5-6,14H2.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine?
1-[4-(4-chloropyrazol-1-yl)phenyl]cyclopropan-1-amine has a molecular weight of 233.70 g/mol, XLogP of 2.47, 2 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]cyclopropan-1-amine is sourced from PubChem (CID 117339692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).