4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole

C10H8Cl2N2O — CID 141358223

IUPAC4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
SMILESCOc1cccc(-c2n[nH]c(Cl)c2Cl)c1
InChIInChI=1S/C10H8Cl2N2O/c1-15-7-4-2-3-6(5-7)9-8(11)10(12)14-13-9/h2-5H,1H3,(H,13,14)
InChIKeyPAONSLQBAAQUBX-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.39
Rot. Bonds2

About 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole

4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole (PubChem CID 141358223) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
PubChem CID141358223
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
SMILESCOc1cccc(-c2n[nH]c(Cl)c2Cl)c1
InChIInChI=1S/C10H8Cl2N2O/c1-15-7-4-2-3-6(5-7)9-8(11)10(12)14-13-9/h2-5H,1H3,(H,13,14)
InChIKeyPAONSLQBAAQUBX-UHFFFAOYSA-N
XLogP3.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
CID 71694716
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498783
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
4-(3-methoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 59619134
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
5-(chloromethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 79601243
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole (CID 141358223) is 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole is COc1cccc(-c2n[nH]c(Cl)c2Cl)c1.
What is the InChIKey of 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole?
The InChIKey is PAONSLQBAAQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-15-7-4-2-3-6(5-7)9-8(11)10(12)14-13-9/h2-5H,1H3,(H,13,14).
What are the key properties of 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole?
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole has a molecular weight of 243.09 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 141358223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).