5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole

C19H16N8 — CID 139236298

IUPAC5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole
SMILESCc1c(-c2ccn[nH]2)c(-c2ccn[nH]2)nn1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H16N8/c1-12-18(16-7-10-21-24-16)19(17-8-11-22-25-17)26-27(12)14-4-2-13(3-5-14)15-6-9-20-23-15/h2-11H,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKDNSAWRILNAQPQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.35
Rot. Bonds4

About 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole

5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole (PubChem CID 139236298) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole.

Molecular Properties

Compound Name5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole
PubChem CID139236298
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole
SMILESCc1c(-c2ccn[nH]2)c(-c2ccn[nH]2)nn1-c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C19H16N8/c1-12-18(16-7-10-21-24-16)19(17-8-11-22-25-17)26-27(12)14-4-2-13(3-5-14)15-6-9-20-23-15/h2-11H,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKDNSAWRILNAQPQ-UHFFFAOYSA-N
XLogP3.35
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrazole
CID 3544553
1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
CID 146433315
N-methyl-N-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-4-yl)ethanamine
CID 16191671
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole
CID 136607458
3-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1H-pyrazole
CID 1474504
2-methyl-4-(1-methylpyrazol-4-yl)-6-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
CID 137659279
1-(1H-indazol-6-yl)-6-[2-(2-methylphenyl)pyrazol-3-yl]benzotriazole
CID 155535612
1-(1H-indazol-6-yl)-6-[2-(4-methylphenyl)pyrazol-3-yl]benzotriazole
CID 155537635
1,1'',3,3''-tetramethyl-1H,1'H,1''H-4,3':5',4''-terpyrazole
CID 19588279
US11352339, Example 31
CID 130454375
1-phenyl-4-(1H-pyrazol-5-yl)pyrazole
CID 53788249
5,10,15,20-Tetrakis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 53980392

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole?
The IUPAC name of 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole (CID 139236298) is 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole.
What is the SMILES notation for 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole?
The canonical SMILES for 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole is Cc1c(-c2ccn[nH]2)c(-c2ccn[nH]2)nn1-c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole?
The InChIKey is KDNSAWRILNAQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-12-18(16-7-10-21-24-16)19(17-8-11-22-25-17)26-27(12)14-4-2-13(3-5-14)15-6-9-20-23-15/h2-11H,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole?
5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole has a molecular weight of 356.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-bis(1H-pyrazol-5-yl)-1-[4-(1H-pyrazol-5-yl)phenyl]pyrazole is sourced from PubChem (CID 139236298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).