[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride

C10H13Cl4N3 — CID 53444369

IUPAC[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
SMILESCl.Cl.Cl.NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3.3ClH/c11-9-3-1-7(2-4-9)10-8(5-12)6-13-14-10;;;/h1-4,6H,5,12H2,(H,13,14);3*1H
InChIKeyZIUFHYFDAPXFDK-UHFFFAOYSA-N
MW317.05 g/mol
LogP3.45
Rot. Bonds2

About [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride (PubChem CID 53444369) has the molecular formula C10H13Cl4N3 and a molecular weight of 317.05 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
PubChem CID53444369
Molecular FormulaC10H13Cl4N3
Molecular Weight317.05 g/mol
Exact Mass314.99
IUPAC Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
SMILESCl.Cl.Cl.NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3.3ClH/c11-9-3-1-7(2-4-9)10-8(5-12)6-13-14-10;;;/h1-4,6H,5,12H2,(H,13,14);3*1H
InChIKeyZIUFHYFDAPXFDK-UHFFFAOYSA-N
XLogP3.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole
CID 714291
3-phenyl-1H-pyrazole
CID 17155
4-(4-Chlorophenyl)-1H-pyrazol-3-amine
CID 218417
3-Methyl-4-phenylpyrazol
CID 139601
(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 15602982
(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 15602983
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 11312547
4-(2-chlorophenyl)-3-methyl-1H-pyrazole
CID 2805460
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
3-(2,6-Dichlorostyryl)-1H-Pyrazole
CID 5713978

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride?
The IUPAC name of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride (CID 53444369) is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride.
What is the SMILES notation for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride?
The canonical SMILES for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride is Cl.Cl.Cl.NCc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride?
The InChIKey is ZIUFHYFDAPXFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3.3ClH/c11-9-3-1-7(2-4-9)10-8(5-12)6-13-14-10;;;/h1-4,6H,5,12H2,(H,13,14);3*1H.
What are the key properties of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride?
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride has a molecular weight of 317.05 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride is sourced from PubChem (CID 53444369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).