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

C14H12ClN3OS — CID 80644815

IUPAC5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2-c2sccc2Cl)c1
InChIInChI=1S/C14H12ClN3OS/c1-19-9-4-2-3-8(7-9)11-12(17-18-14(11)16)13-10(15)5-6-20-13/h2-7H,1H3,(H3,16,17,18)
InChIKeyPHCHYTWIRVLPPL-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.05
Rot. Bonds3

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

5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 80644815) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID80644815
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2-c2sccc2Cl)c1
InChIInChI=1S/C14H12ClN3OS/c1-19-9-4-2-3-8(7-9)11-12(17-18-14(11)16)13-10(15)5-6-20-13/h2-7H,1H3,(H3,16,17,18)
InChIKeyPHCHYTWIRVLPPL-UHFFFAOYSA-N
XLogP4.05
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 80644038
5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80534161
5-(5-fluoro-3-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104785968
5-(5-fluoro-2-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104638670
4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
CID 81122411
4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
CID 66477859
3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile
CID 69465742
5-(3-methylthiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524484
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine (CID 80644815) is 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine is COc1cccc(-c2c(N)n[nH]c2-c2sccc2Cl)c1.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is PHCHYTWIRVLPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-19-9-4-2-3-8(7-9)11-12(17-18-14(11)16)13-10(15)5-6-20-13/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine?
5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 305.79 g/mol, XLogP of 4.05, 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-(3-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 80644815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).