N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide

C19H17N5O2 — CID 167789036

IUPACN-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc2[nH]nc(NC(=O)c3cnn(-c4ccccc4C)c3)c2c1
InChIInChI=1S/C19H17N5O2/c1-12-5-3-4-6-17(12)24-11-13(10-20-24)19(25)21-18-15-9-14(26-2)7-8-16(15)22-23-18/h3-11H,1-2H3,(H2,21,22,23,25)
InChIKeyGPLUUVIQVXCOGJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.32
Rot. Bonds4

About N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide

N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 167789036) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID167789036
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc2[nH]nc(NC(=O)c3cnn(-c4ccccc4C)c3)c2c1
InChIInChI=1S/C19H17N5O2/c1-12-5-3-4-6-17(12)24-11-13(10-20-24)19(25)21-18-15-9-14(26-2)7-8-16(15)22-23-18/h3-11H,1-2H3,(H2,21,22,23,25)
InChIKeyGPLUUVIQVXCOGJ-UHFFFAOYSA-N
XLogP3.32
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 167789036) is N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide is COc1ccc2[nH]nc(NC(=O)c3cnn(-c4ccccc4C)c3)c2c1.
What is the InChIKey of N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is GPLUUVIQVXCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-5-3-4-6-17(12)24-11-13(10-20-24)19(25)21-18-15-9-14(26-2)7-8-16(15)22-23-18/h3-11H,1-2H3,(H2,21,22,23,25).
What are the key properties of N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1H-indazol-3-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167789036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).