5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine

C12H14ClN3 — CID 63048476

IUPAC5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C12H14ClN3/c1-2-7-14-12-8-11(15-16-12)9-3-5-10(13)6-4-9/h3-6,8H,2,7H2,1H3,(H2,14,15,16)
InChIKeyOCCAQOJJLAOLJO-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.55
Rot. Bonds4

About 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine

5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine (PubChem CID 63048476) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
PubChem CID63048476
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C12H14ClN3/c1-2-7-14-12-8-11(15-16-12)9-3-5-10(13)6-4-9/h3-6,8H,2,7H2,1H3,(H2,14,15,16)
InChIKeyOCCAQOJJLAOLJO-UHFFFAOYSA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63529596
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
5-(2-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63047967
5-(3,4-dichlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63047423
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071
5-(2,4-difluorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 55145366
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955
N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
CID 63050056
N,N'-bis(5-phenyl-1H-pyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
CID 162315025
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
CID 25260346
5-(3-chlorophenyl)-N-ethyl-1H-pyrazol-3-amine
CID 63050054

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine (CID 63048476) is 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine is CCCNc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine?
The InChIKey is OCCAQOJJLAOLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-7-14-12-8-11(15-16-12)9-3-5-10(13)6-4-9/h3-6,8H,2,7H2,1H3,(H2,14,15,16).
What are the key properties of 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine?
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine has a molecular weight of 235.72 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63048476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).