1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate

C18H14N4O3 — CID 51128607

IUPAC1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Oc1cccc2[nH]ncc12
InChIInChI=1S/C18H14N4O3/c1-24-16-11-22(12-6-3-2-4-7-12)21-17(16)18(23)25-15-9-5-8-14-13(15)10-19-20-14/h2-11H,1H3,(H,19,20)
InChIKeyXWDVWSSDTMRVNJ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.98
Rot. Bonds4

About 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate

1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 51128607) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID51128607
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Oc1cccc2[nH]ncc12
InChIInChI=1S/C18H14N4O3/c1-24-16-11-22(12-6-3-2-4-7-12)21-17(16)18(23)25-15-9-5-8-14-13(15)10-19-20-14/h2-11H,1H3,(H,19,20)
InChIKeyXWDVWSSDTMRVNJ-UHFFFAOYSA-N
XLogP2.98
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-bromophenyl) 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 32990131
dimethyl 5-(4-methoxy-1-phenylpyrazole-3-carbonyl)oxybenzene-1,3-dicarboxylate
CID 9456471
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 42894285
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 24514493
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 51128607) is 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)Oc1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is XWDVWSSDTMRVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-24-16-11-22(12-6-3-2-4-7-12)21-17(16)18(23)25-15-9-5-8-14-13(15)10-19-20-14/h2-11H,1H3,(H,19,20).
What are the key properties of 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate?
1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 334.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 51128607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).