[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

C22H24N4O — CID 48655708

IUPAC[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCc1ccccc1-n1nc(C(=O)n2cccc/c2=N\C(C)C)c2c1CCC2
InChIInChI=1S/C22H24N4O/c1-15(2)23-20-13-6-7-14-25(20)22(27)21-17-10-8-12-19(17)26(24-21)18-11-5-4-9-16(18)3/h4-7,9,11,13-15H,8,10,12H2,1-3H3/b23-20+
InChIKeyVZFVRQYGBAVYMZ-BSYVCWPDSA-N
MW360.46 g/mol
LogP3.47
Rot. Bonds3

About [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 48655708) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID48655708
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCc1ccccc1-n1nc(C(=O)n2cccc/c2=N\C(C)C)c2c1CCC2
InChIInChI=1S/C22H24N4O/c1-15(2)23-20-13-6-7-14-25(20)22(27)21-17-10-8-12-19(17)26(24-21)18-11-5-4-9-16(18)3/h4-7,9,11,13-15H,8,10,12H2,1-3H3/b23-20+
InChIKeyVZFVRQYGBAVYMZ-BSYVCWPDSA-N
XLogP3.47
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dihydropyrrol-1-yl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 126827969
(3-hydroxyazetidin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 71920014
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119596232
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198235
1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carbonitrile
CID 49061217
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126818881
6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113801
6-methyl-1-(2-nitrophenyl)-3-(2-propan-2-yliminopyridine-1-carbonyl)pyridazin-4-one
CID 51328061
N-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]formamide
CID 125419556
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119486710
1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 83863008

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 48655708) is [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is Cc1ccccc1-n1nc(C(=O)n2cccc/c2=N\C(C)C)c2c1CCC2.
What is the InChIKey of [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is VZFVRQYGBAVYMZ-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)23-20-13-6-7-14-25(20)22(27)21-17-10-8-12-19(17)26(24-21)18-11-5-4-9-16(18)3/h4-7,9,11,13-15H,8,10,12H2,1-3H3/b23-20+.
What are the key properties of [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 48655708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).