3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole

C11H10N4 — CID 122196353

IUPAC3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C11H10N4/c1-7-10-4-8(9-5-12-13-6-9)2-3-11(10)15-14-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyPLIREJBVFKOWNR-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.26
Rot. Bonds1

About 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole

3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole (PubChem CID 122196353) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole.

Molecular Properties

Compound Name3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole
PubChem CID122196353
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole
SMILESCc1[nH]nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C11H10N4/c1-7-10-4-8(9-5-12-13-6-9)2-3-11(10)15-14-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyPLIREJBVFKOWNR-UHFFFAOYSA-N
XLogP2.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole?
The IUPAC name of 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole (CID 122196353) is 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole.
What is the SMILES notation for 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole?
The canonical SMILES for 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole is Cc1[nH]nc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole?
The InChIKey is PLIREJBVFKOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-7-10-4-8(9-5-12-13-6-9)2-3-11(10)15-14-7/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole?
3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole has a molecular weight of 198.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole is sourced from PubChem (CID 122196353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).