3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole

C14H15N5 — CID 146108837

IUPAC3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole
SMILESCn1ncc2c1CN(Cc1[nH]nc3ccccc13)C2
InChIInChI=1S/C14H15N5/c1-18-14-9-19(7-10(14)6-15-18)8-13-11-4-2-3-5-12(11)16-17-13/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeySELLIKXNDFZGMG-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.81
Rot. Bonds2

About 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole

3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole (PubChem CID 146108837) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole.

Molecular Properties

Compound Name3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole
PubChem CID146108837
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole
SMILESCn1ncc2c1CN(Cc1[nH]nc3ccccc13)C2
InChIInChI=1S/C14H15N5/c1-18-14-9-19(7-10(14)6-15-18)8-13-11-4-2-3-5-12(11)16-17-13/h2-6H,7-9H2,1H3,(H,16,17)
InChIKeySELLIKXNDFZGMG-UHFFFAOYSA-N
XLogP1.81
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2H-indazol-3-ylmethyl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914838
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
7-hydroxy-2-(2H-indazol-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165324
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
3-[[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2H-indazole
CID 22914807
6-(2H-indazol-3-ylmethyl)-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946231
3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole
CID 70693471
4-[[4-fluoro-3-[2-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)acetyl]phenyl]methyl]-2H-phthalazin-1-one
CID 123653507
[2H-indazol-3-ylmethyl(dimethyl)silyl]methanamine
CID 22399684
3-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2H-indazole
CID 21481016
(3aR,5R,6R,7aS)-6-(4-fluorophenoxy)-2-(2H-indazol-3-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172662212
3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
CID 84682992

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole?
The IUPAC name of 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole (CID 146108837) is 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole.
What is the SMILES notation for 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole?
The canonical SMILES for 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole is Cn1ncc2c1CN(Cc1[nH]nc3ccccc13)C2.
What is the InChIKey of 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole?
The InChIKey is SELLIKXNDFZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18-14-9-19(7-10(14)6-15-18)8-13-11-4-2-3-5-12(11)16-17-13/h2-6H,7-9H2,1H3,(H,16,17).
What are the key properties of 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole?
3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole has a molecular weight of 253.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methyl]-2H-indazole is sourced from PubChem (CID 146108837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).