1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one

C21H27N5O — CID 77079144

IUPAC1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN(C)Cc2n[nH]c3c2CCCC3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H27N5O/c1-15-18(21(27)26(25(15)3)16-9-5-4-6-10-16)13-24(2)14-20-17-11-7-8-12-19(17)22-23-20/h4-6,9-10H,7-8,11-14H2,1-3H3,(H,22,23)
InChIKeyFSOJGOCRZDHBOF-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.72
Rot. Bonds5

About 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one (PubChem CID 77079144) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one
PubChem CID77079144
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one
SMILESCc1c(CN(C)Cc2n[nH]c3c2CCCC3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H27N5O/c1-15-18(21(27)26(25(15)3)16-9-5-4-6-10-16)13-24(2)14-20-17-11-7-8-12-19(17)22-23-20/h4-6,9-10H,7-8,11-14H2,1-3H3,(H,22,23)
InChIKeyFSOJGOCRZDHBOF-UHFFFAOYSA-N
XLogP2.72
TPSA58.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one with MolForge

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Related Compounds

1,5-dimethyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one
CID 74241659
1,5-dimethyl-4-[[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]methyl]-2-phenylpyrazol-3-one
CID 70767650
4-[[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl-methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 66902810
4-[[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 28953395
N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 77079827
1-(2-cyclopentyloxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
CID 46963129
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
CID 11507500
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 56722576
[2,4,6-trimethyl-3-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]phenyl]methyl acetate
CID 46995020
1-[1-methyl-5-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]pyrrol-3-yl]ethanone
CID 77080279
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one
CID 50958802
N-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)methanamine
CID 124756382

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one (CID 77079144) is 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one is Cc1c(CN(C)Cc2n[nH]c3c2CCCC3)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one?
The InChIKey is FSOJGOCRZDHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-18(21(27)26(25(15)3)16-9-5-4-6-10-16)13-24(2)14-20-17-11-7-8-12-19(17)22-23-20/h4-6,9-10H,7-8,11-14H2,1-3H3,(H,22,23).
What are the key properties of 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one?
1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]-2-phenylpyrazol-3-one is sourced from PubChem (CID 77079144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).