N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine

C18H27N3 — CID 105187854

IUPACN-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)c1cnn(C)c1C
InChIInChI=1S/C18H27N3/c1-5-8-15-9-7-10-16(12-15)18(19-11-6-2)17-13-20-21(4)14(17)3/h7,9-10,12-13,18-19H,5-6,8,11H2,1-4H3
InChIKeyUFDRNITWBPYTTK-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.77
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine (PubChem CID 105187854) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
PubChem CID105187854
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)c1cnn(C)c1C
InChIInChI=1S/C18H27N3/c1-5-8-15-9-7-10-16(12-15)18(19-11-6-2)17-13-20-21(4)14(17)3/h7,9-10,12-13,18-19H,5-6,8,11H2,1-4H3
InChIKeyUFDRNITWBPYTTK-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523
N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116545019
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 105175445
N-[(3-methyl-2-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544152
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine (CID 105187854) is N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CCC)c1)c1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine?
The InChIKey is UFDRNITWBPYTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-8-15-9-7-10-16(12-15)18(19-11-6-2)17-13-20-21(4)14(17)3/h7,9-10,12-13,18-19H,5-6,8,11H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105187854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).