[4-(4-chloropyrazol-1-yl)phenyl]methanamine

C10H10ClN3 — CID 19576679

IUPAC[4-(4-chloropyrazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C10H10ClN3/c11-9-6-13-14(7-9)10-3-1-8(5-12)2-4-10/h1-4,6-7H,5,12H2
InChIKeyRRPBVAZFGFIHSP-UHFFFAOYSA-N
MW207.66 g/mol
LogP1.98
Rot. Bonds2

About [4-(4-chloropyrazol-1-yl)phenyl]methanamine

[4-(4-chloropyrazol-1-yl)phenyl]methanamine (PubChem CID 19576679) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is [4-(4-chloropyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-chloropyrazol-1-yl)phenyl]methanamine
PubChem CID19576679
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name[4-(4-chloropyrazol-1-yl)phenyl]methanamine
SMILESNCc1ccc(-n2cc(Cl)cn2)cc1
InChIInChI=1S/C10H10ClN3/c11-9-6-13-14(7-9)10-3-1-8(5-12)2-4-10/h1-4,6-7H,5,12H2
InChIKeyRRPBVAZFGFIHSP-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloropyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(4-chloropyrazol-1-yl)phenyl]methanamine (CID 19576679) is [4-(4-chloropyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(4-chloropyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(4-chloropyrazol-1-yl)phenyl]methanamine is NCc1ccc(-n2cc(Cl)cn2)cc1.
What is the InChIKey of [4-(4-chloropyrazol-1-yl)phenyl]methanamine?
The InChIKey is RRPBVAZFGFIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-6-13-14(7-9)10-3-1-8(5-12)2-4-10/h1-4,6-7H,5,12H2.
What are the key properties of [4-(4-chloropyrazol-1-yl)phenyl]methanamine?
[4-(4-chloropyrazol-1-yl)phenyl]methanamine has a molecular weight of 207.66 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloropyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 19576679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).