3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine

C16H23N3 — CID 81024676

IUPAC3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccnn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(2)17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-19(16)3/h4-10,13,15,17H,11-12H2,1-3H3
InChIKeyFOPZMIPCIJCIIK-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.74
Rot. Bonds6

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

3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 81024676) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID81024676
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccnn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-13(2)17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-19(16)3/h4-10,13,15,17H,11-12H2,1-3H3
InChIKeyFOPZMIPCIJCIIK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81027473
3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114691554
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
CID 103019834
N-ethyl-2-phenyl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81024526
N-[3-(2-ethylpyrazol-3-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 81027901
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 107331259

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine (CID 81024676) is 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccnn1C)c1ccccc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is FOPZMIPCIJCIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-19(16)3/h4-10,13,15,17H,11-12H2,1-3H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine?
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 81024676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).