7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole

C20H17N5 — CID 54587568

IUPAC7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole
SMILESCn1cc(-c2ccc3c(c2)CCc2[nH]ncc2-3)c(-c2ccncc2)n1
InChIInChI=1S/C20H17N5/c1-25-12-18(20(24-25)13-6-8-21-9-7-13)15-2-4-16-14(10-15)3-5-19-17(16)11-22-23-19/h2,4,6-12H,3,5H2,1H3,(H,22,23)
InChIKeyQDIJXDZLGDCRMN-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.64
Rot. Bonds2

About 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole

7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole (PubChem CID 54587568) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole.

Molecular Properties

Compound Name7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole
PubChem CID54587568
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole
SMILESCn1cc(-c2ccc3c(c2)CCc2[nH]ncc2-3)c(-c2ccncc2)n1
InChIInChI=1S/C20H17N5/c1-25-12-18(20(24-25)13-6-8-21-9-7-13)15-2-4-16-14(10-15)3-5-19-17(16)11-22-23-19/h2,4,6-12H,3,5H2,1H3,(H,22,23)
InChIKeyQDIJXDZLGDCRMN-UHFFFAOYSA-N
XLogP3.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole?
The IUPAC name of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole (CID 54587568) is 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole.
What is the SMILES notation for 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole?
The canonical SMILES for 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole is Cn1cc(-c2ccc3c(c2)CCc2[nH]ncc2-3)c(-c2ccncc2)n1.
What is the InChIKey of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole?
The InChIKey is QDIJXDZLGDCRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-25-12-18(20(24-25)13-6-8-21-9-7-13)15-2-4-16-14(10-15)3-5-19-17(16)11-22-23-19/h2,4,6-12H,3,5H2,1H3,(H,22,23).
What are the key properties of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole?
7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole has a molecular weight of 327.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-4,5-dihydro-3H-benzo[e]indazole is sourced from PubChem (CID 54587568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).