[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine

C10H10ClN3 — CID 79484478

IUPAC[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-7(4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14)
InChIKeyGYWJOOAIXLSUTB-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.19
Rot. Bonds2

About [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine

[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79484478) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID79484478
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-7(4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14)
InChIKeyGYWJOOAIXLSUTB-UHFFFAOYSA-N
XLogP2.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine (CID 79484478) is [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is GYWJOOAIXLSUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-3-1-2-7(4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14).
What are the key properties of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine?
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 207.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79484478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).