1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine

C17H25N3 — CID 103135439

IUPAC1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccn(C)n1)C(CC)c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-12-18-17(16-11-13-20(3)19-16)15(5-2)14-9-7-6-8-10-14/h6-11,13,15,17-18H,4-5,12H2,1-3H3
InChIKeyDMPOGXNBSLOVSU-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.65
Rot. Bonds7

About 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine

1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine (PubChem CID 103135439) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
PubChem CID103135439
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccn(C)n1)C(CC)c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-12-18-17(16-11-13-20(3)19-16)15(5-2)14-9-7-6-8-10-14/h6-11,13,15,17-18H,4-5,12H2,1-3H3
InChIKeyDMPOGXNBSLOVSU-UHFFFAOYSA-N
XLogP3.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 103135118
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103131385
1-(2-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115801219
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771
1-(3-chlorophenyl)-2-phenyl-N-propylbutan-1-amine
CID 115811575
N-[(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131211
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
1-(2,5-dibromothiophen-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 43497928
N-[(2-tert-butylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135640

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine (CID 103135439) is 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine is CCCNC(c1ccn(C)n1)C(CC)c1ccccc1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
The InChIKey is DMPOGXNBSLOVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-12-18-17(16-11-13-20(3)19-16)15(5-2)14-9-7-6-8-10-14/h6-11,13,15,17-18H,4-5,12H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine?
1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 103135439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).