2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C16H14ClN3S — CID 81235453

IUPAC2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H14ClN3S/c17-16-10-13-14(5-6-15(13)21-16)19-11-3-1-4-12(9-11)20-8-2-7-18-20/h1-4,7-10,14,19H,5-6H2
InChIKeyDSDPHDMEAWSVAU-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.69
Rot. Bonds3

About 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81235453) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81235453
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H14ClN3S/c17-16-10-13-14(5-6-15(13)21-16)19-11-3-1-4-12(9-11)20-8-2-7-18-20/h1-4,7-10,14,19H,5-6H2
InChIKeyDSDPHDMEAWSVAU-UHFFFAOYSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
N-(3-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43740035
N-(3-methylcyclobutyl)-3-pyrazol-1-ylaniline
CID 104860198
1-cyclopropyl-N-(3-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 62981651
1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine
CID 43739937
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
2-chloro-N-(3-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252267
2-chloro-N-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686856
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline
CID 162634741
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43688255
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-methylphenol
CID 82695773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81235453) is 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is DSDPHDMEAWSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c17-16-10-13-14(5-6-15(13)21-16)19-11-3-1-4-12(9-11)20-8-2-7-18-20/h1-4,7-10,14,19H,5-6H2.
What are the key properties of 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 315.83 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81235453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).