4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole

C16H13N5 — CID 54583634

IUPAC4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2cccc3[nH]ncc23)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-5-7-17-8-6-11)12-3-2-4-15-13(12)9-18-19-15/h2-10H,1H3,(H,18,19)
InChIKeyAYUHNYSRYRXCAN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.03
Rot. Bonds2

About 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole

4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole (PubChem CID 54583634) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
PubChem CID54583634
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole
SMILESCn1cc(-c2cccc3[nH]ncc23)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-5-7-17-8-6-11)12-3-2-4-15-13(12)9-18-19-15/h2-10H,1H3,(H,18,19)
InChIKeyAYUHNYSRYRXCAN-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole 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 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole (CID 54583634) is 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole is Cn1cc(-c2cccc3[nH]ncc23)c(-c2ccncc2)n1.
What is the InChIKey of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
The InChIKey is AYUHNYSRYRXCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-21-10-14(16(20-21)11-5-7-17-8-6-11)12-3-2-4-15-13(12)9-18-19-15/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole?
4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole has a molecular weight of 275.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 54583634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).