4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole

C15H14N10 — CID 136654897

IUPAC4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole
SMILESC1=NN(c2n[nH]nc2-c2[nH]cc(-c3ccn[nH]3)c2-c2ncc[nH]2)CC1
InChIInChI=1S/C15H14N10/c1-3-20-25(7-1)15-13(22-24-23-15)12-11(14-16-5-6-17-14)9(8-18-12)10-2-4-19-21-10/h2-6,8,18H,1,7H2,(H,16,17)(H,19,21)(H,22,23,24)
InChIKeyLJBDUQQVLXTWKR-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.78
Rot. Bonds4

About 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole

4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole (PubChem CID 136654897) has the molecular formula C15H14N10 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole.

Molecular Properties

Compound Name4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole
PubChem CID136654897
Molecular FormulaC15H14N10
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole
SMILESC1=NN(c2n[nH]nc2-c2[nH]cc(-c3ccn[nH]3)c2-c2ncc[nH]2)CC1
InChIInChI=1S/C15H14N10/c1-3-20-25(7-1)15-13(22-24-23-15)12-11(14-16-5-6-17-14)9(8-18-12)10-2-4-19-21-10/h2-6,8,18H,1,7H2,(H,16,17)(H,19,21)(H,22,23,24)
InChIKeyLJBDUQQVLXTWKR-UHFFFAOYSA-N
XLogP1.78
TPSA130.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole 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

2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
5-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]-3-(1~{h}-Pyrazol-4-Yl)pyrazin-2-Amine
CID 126480569
6-(1-Methyl-1H-pyrazol-4-yl)-3-(1H-pyrrolo[2,3-b]pyridine-3-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59320262
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-methylimidazol-4-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706316
3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 68353938
5-(1-methylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine
CID 68353940
7-(1H-pyrazol-4-yl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 90105816
4-[2-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 132578411
2-(4-(2-(pyridin-3-yl)vinyl)-1H-pyrazol-3-yl)-1H-imidazole-4-carbonitrile
CID 135922390
3-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridine
CID 136104460
7-(1H-pyrazol-5-yl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 136623676
4-[5-methyl-2-(3-methylbut-2-enyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744331

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole?
The IUPAC name of 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole (CID 136654897) is 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole.
What is the SMILES notation for 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole?
The canonical SMILES for 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole is C1=NN(c2n[nH]nc2-c2[nH]cc(-c3ccn[nH]3)c2-c2ncc[nH]2)CC1.
What is the InChIKey of 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole?
The InChIKey is LJBDUQQVLXTWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N10/c1-3-20-25(7-1)15-13(22-24-23-15)12-11(14-16-5-6-17-14)9(8-18-12)10-2-4-19-21-10/h2-6,8,18H,1,7H2,(H,16,17)(H,19,21)(H,22,23,24).
What are the key properties of 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole?
4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole has a molecular weight of 334.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydropyrazol-2-yl)-5-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-2H-triazole is sourced from PubChem (CID 136654897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).