2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine

C17H25N3 — CID 79620196

IUPAC2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-4-10-18-13-17(2,3)14-20-12-16(11-19-20)15-8-6-5-7-9-15/h5-9,11-12,18H,4,10,13-14H2,1-3H3
InChIKeyPRSJINSEXNFQDL-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds7

About 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine

2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine (PubChem CID 79620196) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine
PubChem CID79620196
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H25N3/c1-4-10-18-13-17(2,3)14-20-12-16(11-19-20)15-8-6-5-7-9-15/h5-9,11-12,18H,4,10,13-14H2,1-3H3
InChIKeyPRSJINSEXNFQDL-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine (CID 79620196) is 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine is CCCNCC(C)(C)Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine?
The InChIKey is PRSJINSEXNFQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-13-17(2,3)14-20-12-16(11-19-20)15-8-6-5-7-9-15/h5-9,11-12,18H,4,10,13-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine?
2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79620196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).