4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C19H19ClN2O4 — CID 155521750

IUPAC4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-23-15-6-5-11(7-14(15)20)13-10-21-22-18(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22)
InChIKeyLECZVSTUFAKLBF-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.43
Rot. Bonds6

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

4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 155521750) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID155521750
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C19H19ClN2O4/c1-23-15-6-5-11(7-14(15)20)13-10-21-22-18(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22)
InChIKeyLECZVSTUFAKLBF-UHFFFAOYSA-N
XLogP4.43
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 155521750) is 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is LECZVSTUFAKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-23-15-6-5-11(7-14(15)20)13-10-21-22-18(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10H,1-4H3,(H,21,22).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 374.82 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 155521750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).