2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine

C13H17N3 — CID 83849137

IUPAC2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCc1ccc(-c2cc(C(C)(C)N)[nH]n2)cc1
InChIInChI=1S/C13H17N3/c1-9-4-6-10(7-5-9)11-8-12(16-15-11)13(2,3)14/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyQGHOZLLPJUCYRN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.58
Rot. Bonds2

About 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine

2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine (PubChem CID 83849137) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
PubChem CID83849137
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
SMILESCc1ccc(-c2cc(C(C)(C)N)[nH]n2)cc1
InChIInChI=1S/C13H17N3/c1-9-4-6-10(7-5-9)11-8-12(16-15-11)13(2,3)14/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyQGHOZLLPJUCYRN-UHFFFAOYSA-N
XLogP2.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850813
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
CID 10682079
1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine
CID 68667695
1,1-bis[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine;dihydrochloride
CID 68667830
5-[difluoro-(3-phenyl-1H-pyrazol-5-yl)methyl]-3-phenyl-1H-pyrazole
CID 12640729
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61336472
5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
CID 118121632
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
5-tert-butyl-3-phenyl-1H-pyrazole;methyl hydrogen sulfate
CID 173458849

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine (CID 83849137) is 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine is Cc1ccc(-c2cc(C(C)(C)N)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine?
The InChIKey is QGHOZLLPJUCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-6-10(7-5-9)11-8-12(16-15-11)13(2,3)14/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine?
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine is sourced from PubChem (CID 83849137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).