1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine

C16H17N3S — CID 105150213

IUPAC1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H17N3S/c17-16(9-8-15-7-4-10-20-15)13-11-18-19(12-13)14-5-2-1-3-6-14/h1-7,10-12,16H,8-9,17H2
InChIKeyBQOHAJLICCEPTL-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.57
Rot. Bonds5

About 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine

1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150213) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID105150213
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H17N3S/c17-16(9-8-15-7-4-10-20-15)13-11-18-19(12-13)14-5-2-1-3-6-14/h1-7,10-12,16H,8-9,17H2
InChIKeyBQOHAJLICCEPTL-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150214
1-(1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379955
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442
ethyl 4-amino-4-(1-phenylpyrazol-4-yl)butanoate
CID 60861163
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
methyl 3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 43147874
methyl (3R)-3-amino-3-(1-phenylpyrazol-4-yl)propanoate
CID 29059511
1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81144341
(1-phenylpyrazol-4-yl)methanediol
CID 70397428

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine (CID 105150213) is 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine is NC(CCc1cccs1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is BQOHAJLICCEPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-16(9-8-15-7-4-10-20-15)13-11-18-19(12-13)14-5-2-1-3-6-14/h1-7,10-12,16H,8-9,17H2.
What are the key properties of 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).