5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

C15H21N3 — CID 63049705

IUPAC5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1ccc(C)c(-c2cc(NCC(C)C)n[nH]2)c1
InChIInChI=1S/C15H21N3/c1-10(2)9-16-15-8-14(17-18-15)13-7-11(3)5-6-12(13)4/h5-8,10H,9H2,1-4H3,(H2,16,17,18)
InChIKeyYXCLOMPBDBZRBK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.76
Rot. Bonds4

About 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 63049705) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID63049705
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCc1ccc(C)c(-c2cc(NCC(C)C)n[nH]2)c1
InChIInChI=1S/C15H21N3/c1-10(2)9-16-15-8-14(17-18-15)13-7-11(3)5-6-12(13)4/h5-8,10H,9H2,1-4H3,(H2,16,17,18)
InChIKeyYXCLOMPBDBZRBK-UHFFFAOYSA-N
XLogP3.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (CID 63049705) is 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is Cc1ccc(C)c(-c2cc(NCC(C)C)n[nH]2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is YXCLOMPBDBZRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)9-16-15-8-14(17-18-15)13-7-11(3)5-6-12(13)4/h5-8,10H,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 243.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63049705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).