N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine

C18H27N3 — CID 63976175

IUPACN-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccnn1CCC
InChIInChI=1S/C18H27N3/c1-4-11-19-17(14-16-8-6-15(3)7-9-16)18-10-12-20-21(18)13-5-2/h6-10,12,17,19H,4-5,11,13-14H2,1-3H3
InChIKeyRFHLVJGYFAWVME-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.88
Rot. Bonds8

About N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 63976175) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID63976175
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1)c1ccnn1CCC
InChIInChI=1S/C18H27N3/c1-4-11-19-17(14-16-8-6-15(3)7-9-16)18-10-12-20-21(18)13-5-2/h6-10,12,17,19H,4-5,11,13-14H2,1-3H3
InChIKeyRFHLVJGYFAWVME-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
N-[2-(cyclohexen-1-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 116662180
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
N-[2-propan-2-yloxy-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 105148237
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857679
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63977027

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine (CID 63976175) is N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1)c1ccnn1CCC.
What is the InChIKey of N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is RFHLVJGYFAWVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-11-19-17(14-16-8-6-15(3)7-9-16)18-10-12-20-21(18)13-5-2/h6-10,12,17,19H,4-5,11,13-14H2,1-3H3.
What are the key properties of N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63976175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).