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

C13H17N3 — CID 105423190

IUPAC3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine
SMILESCc1ccc(-c2cn[nH]c2CCCN)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-11(7-5-10)12-9-15-16-13(12)3-2-8-14/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyGDPAWLXDIZUCGJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.28
Rot. Bonds4

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

3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine (PubChem CID 105423190) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine
PubChem CID105423190
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine
SMILESCc1ccc(-c2cn[nH]c2CCCN)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-11(7-5-10)12-9-15-16-13(12)3-2-8-14/h4-7,9H,2-3,8,14H2,1H3,(H,15,16)
InChIKeyGDPAWLXDIZUCGJ-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-1H-pyrazol-5-yl)propan-1-amine
CID 83881742
2-methyl-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105423638
5-fluoro-4-(4-methylphenyl)-1H-pyrazole
CID 137387558
4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
CID 105423241
[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 105423037
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine
CID 105474025
3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 105423688
3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 105423514
2-[4-[(3-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrazol-5-yl]ethanamine
CID 96618338
3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
CID 105453769
ethyl 2-amino-3-[4-(4-ethylphenyl)-1H-pyrazol-5-yl]propanoate
CID 170885621
3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62039586

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine (CID 105423190) is 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine is Cc1ccc(-c2cn[nH]c2CCCN)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine?
The InChIKey is GDPAWLXDIZUCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-6-11(7-5-10)12-9-15-16-13(12)3-2-8-14/h4-7,9H,2-3,8,14H2,1H3,(H,15,16).
What are the key properties of 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine?
3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-amine is sourced from PubChem (CID 105423190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).