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

C14H11ClIN3OS — CID 79691857

IUPAC4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1-c1csc(I)c1
InChIInChI=1S/C14H11ClIN3OS/c1-20-10-3-2-8(15)5-9(10)12-13(18-19-14(12)17)7-4-11(16)21-6-7/h2-6H,1H3,(H3,17,18,19)
InChIKeyDOVYUJGNTVESCO-UHFFFAOYSA-N
MW431.69 g/mol
LogP4.65
Rot. Bonds3

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

4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (PubChem CID 79691857) has the molecular formula C14H11ClIN3OS and a molecular weight of 431.69 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
PubChem CID79691857
Molecular FormulaC14H11ClIN3OS
Molecular Weight431.69 g/mol
Exact Mass430.94
IUPAC Name4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1-c1csc(I)c1
InChIInChI=1S/C14H11ClIN3OS/c1-20-10-3-2-8(15)5-9(10)12-13(18-19-14(12)17)7-4-11(16)21-6-7/h2-6H,1H3,(H3,17,18,19)
InChIKeyDOVYUJGNTVESCO-UHFFFAOYSA-N
XLogP4.65
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.69
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 79691856
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79692878
5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 63798640
4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 82802446
4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79693791
5-(5-iodothiophen-3-yl)-4-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 79691861
5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 80644038
5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
CID 79693706
4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001706
4-(2-methoxy-5-methylphenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670632
4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63013480
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (CID 79691857) is 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is COc1ccc(Cl)cc1-c1c(N)n[nH]c1-c1csc(I)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The InChIKey is DOVYUJGNTVESCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClIN3OS/c1-20-10-3-2-8(15)5-9(10)12-13(18-19-14(12)17)7-4-11(16)21-6-7/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine has a molecular weight of 431.69 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79691857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).