1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine

C17H21N3 — CID 105112397

IUPAC1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N3/c1-3-5-11-17(18-12-4-2)15-13-19-20(14-15)16-9-7-6-8-10-16/h6-10,13-14,17-18H,4,11-12H2,1-2H3
InChIKeyWNCXCJRVCXRRSY-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.33
Rot. Bonds6

About 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine

1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine (PubChem CID 105112397) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
PubChem CID105112397
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N3/c1-3-5-11-17(18-12-4-2)15-13-19-20(14-15)16-9-7-6-8-10-16/h6-10,13-14,17-18H,4,11-12H2,1-2H3
InChIKeyWNCXCJRVCXRRSY-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
CID 43497373
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497367
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
[3-methyl-1-(1-phenylpyrazol-4-yl)hexyl]hydrazine
CID 105298119
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine (CID 105112397) is 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine?
The InChIKey is WNCXCJRVCXRRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-5-11-17(18-12-4-2)15-13-19-20(14-15)16-9-7-6-8-10-16/h6-10,13-14,17-18H,4,11-12H2,1-2H3.
What are the key properties of 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine?
1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine has a molecular weight of 267.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 105112397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).