1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine

C16H31N3 — CID 107886970

IUPAC1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(C(C)CCC)c1C
InChIInChI=1S/C16H31N3/c1-7-10-12(4)19-14(6)16(13(5)18-19)15(9-3)17-11-8-2/h12,15,17H,7-11H2,1-6H3
InChIKeyQYVYXJIBPCAIPN-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.31
Rot. Bonds8

About 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine

1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 107886970) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID107886970
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(C(C)CCC)c1C
InChIInChI=1S/C16H31N3/c1-7-10-12(4)19-14(6)16(13(5)18-19)15(9-3)17-11-8-2/h12,15,17H,7-11H2,1-6H3
InChIKeyQYVYXJIBPCAIPN-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol
CID 107887171
1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82929816
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 80694491
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 55110541
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine
CID 62730290
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
CID 107887997
1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62732283
1-[1-(4-methoxybutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 104649593
N-propyl-3-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62441752
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731742
1-butan-2-yl-4-(1-chloroethyl)-3,5-dimethylpyrazole
CID 62731102

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine (CID 107886970) is 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CC)c1c(C)nn(C(C)CCC)c1C.
What is the InChIKey of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is QYVYXJIBPCAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-7-10-12(4)19-14(6)16(13(5)18-19)15(9-3)17-11-8-2/h12,15,17H,7-11H2,1-6H3.
What are the key properties of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107886970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).