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

C10H12ClN3 — CID 82071988

IUPAC[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
SMILESNCC1=NNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H12ClN3/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-4,10,14H,5-6,12H2
InChIKeyNOCOKPLKIABNPY-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.69
Rot. Bonds2

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

[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine (PubChem CID 82071988) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
PubChem CID82071988
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
SMILESNCC1=NNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H12ClN3/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-4,10,14H,5-6,12H2
InChIKeyNOCOKPLKIABNPY-UHFFFAOYSA-N
XLogP1.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The IUPAC name of [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine (CID 82071988) is [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine is NCC1=NNC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The InChIKey is NOCOKPLKIABNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-4,10,14H,5-6,12H2.
What are the key properties of [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine has a molecular weight of 209.68 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 82071988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).