5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine

C17H23N3 — CID 116827540

IUPAC5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine
SMILESCCC(C)c1ccc(-c2cc(NC3CC3)nn2C)cc1
InChIInChI=1S/C17H23N3/c1-4-12(2)13-5-7-14(8-6-13)16-11-17(19-20(16)3)18-15-9-10-15/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyODSHNSBBNZXTJR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds5

About 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine

5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine (PubChem CID 116827540) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine
PubChem CID116827540
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine
SMILESCCC(C)c1ccc(-c2cc(NC3CC3)nn2C)cc1
InChIInChI=1S/C17H23N3/c1-4-12(2)13-5-7-14(8-6-13)16-11-17(19-20(16)3)18-15-9-10-15/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyODSHNSBBNZXTJR-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine?
The IUPAC name of 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine (CID 116827540) is 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine is CCC(C)c1ccc(-c2cc(NC3CC3)nn2C)cc1.
What is the InChIKey of 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine?
The InChIKey is ODSHNSBBNZXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-12(2)13-5-7-14(8-6-13)16-11-17(19-20(16)3)18-15-9-10-15/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine?
5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine is sourced from PubChem (CID 116827540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).