4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole

C23H23N5O4 — CID 19587432

IUPAC4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(Cn2cc([N+](=O)[O-])cn2)c1-c1ccc(OC)cc1
InChIInChI=1S/C23H23N5O4/c1-4-21-22(16-5-9-19(31-2)10-6-16)25-27(15-26-14-18(13-24-26)28(29)30)23(21)17-7-11-20(32-3)12-8-17/h5-14H,4,15H2,1-3H3
InChIKeyJZWHXMPKEVVXTI-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.41
Rot. Bonds8

About 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole

4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole (PubChem CID 19587432) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
PubChem CID19587432
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
SMILESCCc1c(-c2ccc(OC)cc2)nn(Cn2cc([N+](=O)[O-])cn2)c1-c1ccc(OC)cc1
InChIInChI=1S/C23H23N5O4/c1-4-21-22(16-5-9-19(31-2)10-6-16)25-27(15-26-14-18(13-24-26)28(29)30)23(21)17-7-11-20(32-3)12-8-17/h5-14H,4,15H2,1-3H3
InChIKeyJZWHXMPKEVVXTI-UHFFFAOYSA-N
XLogP4.41
TPSA97.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3,5-bis(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
CID 17025537
4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
CID 19587258
4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
CID 19587228
4-chloro-3,5-bis(3,4-dimethylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
CID 19587209
4-chloro-3,5-bis(2-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
CID 19587361
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
3,5-bis(3,4-dimethoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
CID 19586572
1-cyclopentyl-4-ethyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587444
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
5,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 18369357
methyl 3-[[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]benzoate
CID 19587299
2-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)-6-nitroimidazo[1,2-a]pyrimidine
CID 69378587

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole (CID 19587432) is 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole is CCc1c(-c2ccc(OC)cc2)nn(Cn2cc([N+](=O)[O-])cn2)c1-c1ccc(OC)cc1.
What is the InChIKey of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole?
The InChIKey is JZWHXMPKEVVXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-4-21-22(16-5-9-19(31-2)10-6-16)25-27(15-26-14-18(13-24-26)28(29)30)23(21)17-7-11-20(32-3)12-8-17/h5-14H,4,15H2,1-3H3.
What are the key properties of 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole?
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole has a molecular weight of 433.47 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 19587432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).