N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

C19H17N5O2 — CID 118663022

IUPACN-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCc2cccc3[nH]ncc23)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H17N5O2/c1-26-18-7-12(5-6-15(18)14-9-21-22-10-14)19(25)20-8-13-3-2-4-17-16(13)11-23-24-17/h2-7,9-11H,8H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyPNNANOOTMGLECQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.89
Rot. Bonds5

About N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663022) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663022
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NCc2cccc3[nH]ncc23)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H17N5O2/c1-26-18-7-12(5-6-15(18)14-9-21-22-10-14)19(25)20-8-13-3-2-4-17-16(13)11-23-24-17/h2-7,9-11H,8H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyPNNANOOTMGLECQ-UHFFFAOYSA-N
XLogP2.89
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118663022) is N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)NCc2cccc3[nH]ncc23)ccc1-c1cn[nH]c1.
What is the InChIKey of N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is PNNANOOTMGLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-18-7-12(5-6-15(18)14-9-21-22-10-14)19(25)20-8-13-3-2-4-17-16(13)11-23-24-17/h2-7,9-11H,8H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).