N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine

C18H25N3 — CID 66442303

IUPACN-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2cc(C)ccc2C)c1C1CC1
InChIInChI=1S/C18H25N3/c1-4-9-19-11-16-12-20-21(18(16)15-7-8-15)17-10-13(2)5-6-14(17)3/h5-6,10,12,15,19H,4,7-9,11H2,1-3H3
InChIKeyCYLBIFOLENOXBK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.87
Rot. Bonds6

About N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 66442303) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID66442303
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2cc(C)ccc2C)c1C1CC1
InChIInChI=1S/C18H25N3/c1-4-9-19-11-16-12-20-21(18(16)15-7-8-15)17-10-13(2)5-6-14(17)3/h5-6,10,12,15,19H,4,7-9,11H2,1-3H3
InChIKeyCYLBIFOLENOXBK-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.87
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-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine (CID 66442303) is N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(-c2cc(C)ccc2C)c1C1CC1.
What is the InChIKey of N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is CYLBIFOLENOXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-9-19-11-16-12-20-21(18(16)15-7-8-15)17-10-13(2)5-6-14(17)3/h5-6,10,12,15,19H,4,7-9,11H2,1-3H3.
What are the key properties of N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.87, 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-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66442303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).