2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine

C11H12ClN3 — CID 23005889

IUPAC2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-2-8(6-10)11-9(4-5-13)7-14-15-11/h1-3,6-7H,4-5,13H2,(H,14,15)
InChIKeyBQRCJAFRYSRHSO-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.23
Rot. Bonds3

About 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine

2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 23005889) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID23005889
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3/c12-10-3-1-2-8(6-10)11-9(4-5-13)7-14-15-11/h1-3,6-7H,4-5,13H2,(H,14,15)
InChIKeyBQRCJAFRYSRHSO-UHFFFAOYSA-N
XLogP2.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79484478
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
CID 105498355
3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
CID 105453769
N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484935
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 14827778
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166396791
2-[2-(3-chlorophenyl)phenyl]ethanamine;hydrochloride
CID 164885899
[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79487686
4-(2-aminoethyl)-5-(3-chlorophenyl)-1,2-dihydropyrazol-3-one
CID 4715329
2-[[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122128901
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine (CID 23005889) is 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine is NCCc1cn[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is BQRCJAFRYSRHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-10-3-1-2-8(6-10)11-9(4-5-13)7-14-15-11/h1-3,6-7H,4-5,13H2,(H,14,15).
What are the key properties of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine?
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 23005889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).