2-[(3-chlorophenyl)methyl]pyrazol-3-amine

C10H10ClN3 — CID 7130777

IUPAC2-[(3-chlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-8(6-9)7-14-10(12)4-5-13-14/h1-6H,7,12H2
InChIKeyIMUYDRBEOFXQGF-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.17
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]pyrazol-3-amine

2-[(3-chlorophenyl)methyl]pyrazol-3-amine (PubChem CID 7130777) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]pyrazol-3-amine
PubChem CID7130777
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-[(3-chlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3/c11-9-3-1-2-8(6-9)7-14-10(12)4-5-13-14/h1-6H,7,12H2
InChIKeyIMUYDRBEOFXQGF-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]pyrazol-3-amine (CID 7130777) is 2-[(3-chlorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]pyrazol-3-amine?
The InChIKey is IMUYDRBEOFXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-9-3-1-2-8(6-9)7-14-10(12)4-5-13-14/h1-6H,7,12H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]pyrazol-3-amine?
2-[(3-chlorophenyl)methyl]pyrazol-3-amine has a molecular weight of 207.66 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 7130777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).