N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine

C18H27N3 — CID 105410082

IUPACN-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cnn(CCC)c2C)c1
InChIInChI=1S/C18H27N3/c1-5-9-19-12-16-8-7-14(3)17(11-16)18-13-20-21(10-6-2)15(18)4/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3
InChIKeyHVTFRHGCXZLAAU-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.08
Rot. Bonds7

About N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine

N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine (PubChem CID 105410082) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
PubChem CID105410082
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cnn(CCC)c2C)c1
InChIInChI=1S/C18H27N3/c1-5-9-19-12-16-8-7-14(3)17(11-16)18-13-20-21(10-6-2)15(18)4/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3
InChIKeyHVTFRHGCXZLAAU-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.08
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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Related Compounds

N-[[3-(1-ethyl-5-methylpyrazol-4-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 66099118
N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66099332
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66096186
N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine
CID 105408843
N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689849
N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408556
[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 81440629
N-[(1-propylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
CID 55241694
N-[[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689873
N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
CID 105409562
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine (CID 105410082) is N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(C)c(-c2cnn(CCC)c2C)c1.
What is the InChIKey of N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
The InChIKey is HVTFRHGCXZLAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-9-19-12-16-8-7-14(3)17(11-16)18-13-20-21(10-6-2)15(18)4/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine?
N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 105410082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).