N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine

C18H27N3 — CID 105144407

IUPACN-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCC)cc1)c1cc(C)nn1C
InChIInChI=1S/C18H27N3/c1-5-7-15-8-10-16(11-9-15)18(19-12-6-2)17-13-14(3)20-21(17)4/h8-11,13,18-19H,5-7,12H2,1-4H3
InChIKeySUMMXDQMMFYOKU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.77
Rot. Bonds7

About N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine

N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine (PubChem CID 105144407) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine
PubChem CID105144407
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCC)cc1)c1cc(C)nn1C
InChIInChI=1S/C18H27N3/c1-5-7-15-8-10-16(11-9-15)18(19-12-6-2)17-13-14(3)20-21(17)4/h8-11,13,18-19H,5-7,12H2,1-4H3
InChIKeySUMMXDQMMFYOKU-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-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 107561653
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 107561717
N-[(2,5-dimethylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 105148161
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105121579
N-[(3-bromo-2,6-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 106944472
N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923416
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 105182987
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105180121
N-[(3-chlorothiophen-2-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 80644875

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine (CID 105144407) is N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(CCC)cc1)c1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine?
The InChIKey is SUMMXDQMMFYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-7-15-8-10-16(11-9-15)18(19-12-6-2)17-13-14(3)20-21(17)4/h8-11,13,18-19H,5-7,12H2,1-4H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine?
N-[(2,5-dimethylpyrazol-3-yl)-(4-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-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105144407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).