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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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).