5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine

C15H14ClN3OS — CID 80644038

IUPAC5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)n[nH]c1-c1sccc1Cl
InChIInChI=1S/C15H14ClN3OS/c1-8-3-4-11(20-2)9(7-8)12-13(18-19-15(12)17)14-10(16)5-6-21-14/h3-7H,1-2H3,(H3,17,18,19)
InChIKeyXTQADTGAWKWKMC-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.36
Rot. Bonds3

About 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine

5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 80644038) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
PubChem CID80644038
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)n[nH]c1-c1sccc1Cl
InChIInChI=1S/C15H14ClN3OS/c1-8-3-4-11(20-2)9(7-8)12-13(18-19-15(12)17)14-10(16)5-6-21-14/h3-7H,1-2H3,(H3,17,18,19)
InChIKeyXTQADTGAWKWKMC-UHFFFAOYSA-N
XLogP4.36
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 63798640
5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 79691856
4-(2-methoxy-5-methylphenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670632
5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80644815
5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 106854526
4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
CID 81122411
4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79691857
5-(3-bromothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66199541
5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 106861439
4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80644994
5-(2-methoxy-5-methylphenyl)-1H-imidazol-4-amine
CID 82469801
5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079031

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine (CID 80644038) is 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine is COc1ccc(C)cc1-c1c(N)n[nH]c1-c1sccc1Cl.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is XTQADTGAWKWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-8-3-4-11(20-2)9(7-8)12-13(18-19-15(12)17)14-10(16)5-6-21-14/h3-7H,1-2H3,(H3,17,18,19).
What are the key properties of 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 319.82 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 80644038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).