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

C13H14ClN3 — CID 66441286

IUPAC[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2cccc(Cl)c2)c1C1CC1
InChIInChI=1S/C13H14ClN3/c14-11-2-1-3-12(6-11)17-13(9-4-5-9)10(7-15)8-16-17/h1-3,6,8-9H,4-5,7,15H2
InChIKeyRSSFSROPDIUUGO-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.86
Rot. Bonds3

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

[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine (PubChem CID 66441286) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
PubChem CID66441286
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2cccc(Cl)c2)c1C1CC1
InChIInChI=1S/C13H14ClN3/c14-11-2-1-3-12(6-11)17-13(9-4-5-9)10(7-15)8-16-17/h1-3,6,8-9H,4-5,7,15H2
InChIKeyRSSFSROPDIUUGO-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine (CID 66441286) is [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine is NCc1cnn(-c2cccc(Cl)c2)c1C1CC1.
What is the InChIKey of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine?
The InChIKey is RSSFSROPDIUUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-2-1-3-12(6-11)17-13(9-4-5-9)10(7-15)8-16-17/h1-3,6,8-9H,4-5,7,15H2.
What are the key properties of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine?
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine has a molecular weight of 247.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine is sourced from PubChem (CID 66441286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).