1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine

C11H12ClN3 — CID 83890375

IUPAC1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C11H12ClN3/c1-13-7-11-10(12)8-15(14-11)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3
InChIKeyAZFFWUBLNJOEDN-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.25
Rot. Bonds3

About 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine

1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 83890375) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine
PubChem CID83890375
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C11H12ClN3/c1-13-7-11-10(12)8-15(14-11)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3
InChIKeyAZFFWUBLNJOEDN-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine (CID 83890375) is 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine is CNCc1nn(-c2ccccc2)cc1Cl.
What is the InChIKey of 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is AZFFWUBLNJOEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-13-7-11-10(12)8-15(14-11)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3.
What are the key properties of 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine?
1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83890375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).