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

C23H23N5O4 — CID 19587228

IUPAC4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
SMILESCCc1c(-c2cccc(OC)c2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1cccc(OC)c1
InChIInChI=1S/C23H23N5O4/c1-4-20-22(16-7-5-9-18(13-16)31-2)25-27(15-26-12-11-21(24-26)28(29)30)23(20)17-8-6-10-19(14-17)32-3/h5-14H,4,15H2,1-3H3
InChIKeyJHKYSTHCXORJNC-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.41
Rot. Bonds8

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

4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole (PubChem CID 19587228) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
PubChem CID19587228
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
SMILESCCc1c(-c2cccc(OC)c2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1cccc(OC)c1
InChIInChI=1S/C23H23N5O4/c1-4-20-22(16-7-5-9-18(13-16)31-2)25-27(15-26-12-11-21(24-26)28(29)30)23(20)17-8-6-10-19(14-17)32-3/h5-14H,4,15H2,1-3H3
InChIKeyJHKYSTHCXORJNC-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-methyl-3,5-bis(3-methylphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
CID 19586823
4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
CID 17025284
ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587517
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587480
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
CID 19587432
3,5-bis(2,4-dimethoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
CID 17025429
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
4-chloro-3,5-bis(4-fluorophenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
CID 19587427
ethyl 2-[4-chloro-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
CID 19587044
5-[3-[(3-nitropyrazol-1-yl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404108
1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 19586755
4-(3-methoxyphenyl)-2-(3-nitropyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 15994767

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole (CID 19587228) is 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole is CCc1c(-c2cccc(OC)c2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1cccc(OC)c1.
What is the InChIKey of 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole?
The InChIKey is JHKYSTHCXORJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-4-20-22(16-7-5-9-18(13-16)31-2)25-27(15-26-12-11-21(24-26)28(29)30)23(20)17-8-6-10-19(14-17)32-3/h5-14H,4,15H2,1-3H3.
What are the key properties of 4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole?
4-ethyl-3,5-bis(3-methoxyphenyl)-1-[(3-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(3-methoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 19587228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).