1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine

C16H23N3 — CID 112678315

IUPAC1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1-n1cc(C)cn1
InChIInChI=1S/C16H23N3/c1-4-10-17-15(5-2)14-8-6-7-9-16(14)19-12-13(3)11-18-19/h6-9,11-12,15,17H,4-5,10H2,1-3H3
InChIKeyQHBMGJOXSMUJQG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.63
Rot. Bonds6

About 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine

1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 112678315) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine
PubChem CID112678315
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1-n1cc(C)cn1
InChIInChI=1S/C16H23N3/c1-4-10-17-15(5-2)14-8-6-7-9-16(14)19-12-13(3)11-18-19/h6-9,11-12,15,17H,4-5,10H2,1-3H3
InChIKeyQHBMGJOXSMUJQG-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromopyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678321
1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995444
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731
1-(2-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 103948871
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995308
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-N-propylpropan-1-amine
CID 115995796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine (CID 112678315) is 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1-n1cc(C)cn1.
What is the InChIKey of 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is QHBMGJOXSMUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-10-17-15(5-2)14-8-6-7-9-16(14)19-12-13(3)11-18-19/h6-9,11-12,15,17H,4-5,10H2,1-3H3.
What are the key properties of 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine?
1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrazol-1-yl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 112678315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).