N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine

C17H23N3 — CID 66442486

IUPACN-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2cccc(C)c2)c1C1CC1
InChIInChI=1S/C17H23N3/c1-3-9-18-11-15-12-19-20(17(15)14-7-8-14)16-6-4-5-13(2)10-16/h4-6,10,12,14,18H,3,7-9,11H2,1-2H3
InChIKeyIOGQCJXBCRGQHT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.56
Rot. Bonds6

About N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 66442486) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID66442486
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2cccc(C)c2)c1C1CC1
InChIInChI=1S/C17H23N3/c1-3-9-18-11-15-12-19-20(17(15)14-7-8-14)16-6-4-5-13(2)10-16/h4-6,10,12,14,18H,3,7-9,11H2,1-2H3
InChIKeyIOGQCJXBCRGQHT-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine (CID 66442486) is N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(-c2cccc(C)c2)c1C1CC1.
What is the InChIKey of N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is IOGQCJXBCRGQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-9-18-11-15-12-19-20(17(15)14-7-8-14)16-6-4-5-13(2)10-16/h4-6,10,12,14,18H,3,7-9,11H2,1-2H3.
What are the key properties of N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66442486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).