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

C13H14ClN3 — CID 82086673

IUPAC[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine
SMILESNCc1cc(C2CC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c14-10-2-1-3-12(6-10)17-13(9-4-5-9)7-11(8-15)16-17/h1-3,6-7,9H,4-5,8,15H2
InChIKeyMUKSUJVBLCIJNY-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.86
Rot. Bonds3

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

[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine (PubChem CID 82086673) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine
PubChem CID82086673
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine
SMILESNCc1cc(C2CC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3/c14-10-2-1-3-12(6-10)17-13(9-4-5-9)7-11(8-15)16-17/h1-3,6-7,9H,4-5,8,15H2
InChIKeyMUKSUJVBLCIJNY-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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Related Compounds

[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
CID 66441286
[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-3-yl]methanol
CID 82082370
1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-amine
CID 66423941
5-(aminomethyl)-2-(3-chlorophenyl)-4H-1,2,4-triazol-3-one
CID 136999615
5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid
CID 63354074
tert-butyl 3-[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]propanoate;bis([1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methanamine)
CID 160903144
5-cyclopropyl-1-(3-fluorophenyl)pyrazole-3-carbaldehyde
CID 115037644
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 84691343
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592556
2-[5-cyclopropyl-1-(3,4-dimethylphenyl)pyrazol-3-yl]acetonitrile
CID 82087736
[2-(3-chlorophenyl)-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
CID 133180231

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine (CID 82086673) is [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine is NCc1cc(C2CC2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine?
The InChIKey is MUKSUJVBLCIJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-10-2-1-3-12(6-10)17-13(9-4-5-9)7-11(8-15)16-17/h1-3,6-7,9H,4-5,8,15H2.
What are the key properties of [1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-yl]methanamine?
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-3-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-3-yl]methanamine is sourced from PubChem (CID 82086673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).