N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

C18H25N3 — CID 105185341

IUPACN-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)c1ccnn1C
InChIInChI=1S/C18H25N3/c1-3-12-19-18(17-11-13-20-21(17)2)16-9-7-15(8-10-16)14-5-4-6-14/h7-11,13-14,18-19H,3-6,12H2,1-2H3
InChIKeyVNPUYNZUKDFCRD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.78
Rot. Bonds6

About N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 105185341) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID105185341
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C2CCC2)cc1)c1ccnn1C
InChIInChI=1S/C18H25N3/c1-3-12-19-18(17-11-13-20-21(17)2)16-9-7-15(8-10-16)14-5-4-6-14/h7-11,13-14,18-19H,3-6,12H2,1-2H3
InChIKeyVNPUYNZUKDFCRD-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 116506348
N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105164640
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459
N-[(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858444
N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105188811
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-[(3,5-dichloro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79781062
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 105185341) is N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(C2CCC2)cc1)c1ccnn1C.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is VNPUYNZUKDFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-12-19-18(17-11-13-20-21(17)2)16-9-7-15(8-10-16)14-5-4-6-14/h7-11,13-14,18-19H,3-6,12H2,1-2H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105185341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).