5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H29N5O — CID 91237802

IUPAC5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=c1[nH]n2c(=O)c(C)c(C3CCCCC3)nc2/c1=N/c1ccc(N(C)C)cc1C
InChIInChI=1S/C23H29N5O/c1-14-13-18(27(4)5)11-12-19(14)24-21-16(3)26-28-22(21)25-20(15(2)23(28)29)17-9-7-6-8-10-17/h11-13,17,26H,3,6-10H2,1-2,4-5H3/b24-21+
InChIKeyYDHVSVVDMODQJV-DARPEHSRSA-N
MW391.52 g/mol
LogP3.11
Rot. Bonds3

About 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91237802) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID91237802
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC=c1[nH]n2c(=O)c(C)c(C3CCCCC3)nc2/c1=N/c1ccc(N(C)C)cc1C
InChIInChI=1S/C23H29N5O/c1-14-13-18(27(4)5)11-12-19(14)24-21-16(3)26-28-22(21)25-20(15(2)23(28)29)17-9-7-6-8-10-17/h11-13,17,26H,3,6-10H2,1-2,4-5H3/b24-21+
InChIKeyYDHVSVVDMODQJV-DARPEHSRSA-N
XLogP3.11
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-(1-ethylquinolin-2(1H)-ylidene)-2-phenyl-5-(phenylamino)-2,4-dihydro-3H-pyrazol-3-one
CID 135492608
7-oxo-N-[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42642175
3-(2,4-difluorophenyl)-5-[4-(dimethylamino)phenyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 156199200
3-[2-acetyl-6-[(4-fluorophenyl)methyl]-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-9-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133072664
5-[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 168045928
5-[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 168046174
4-(3-(4-Fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl)-1-(m-tolyl)pyrrolidin-2-one
CID 168449976
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4380262
N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734081
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734082
5,6-Dimethyl-2-(2-methylphenyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)iminopyrazolo[1,5-a]pyrimidin-7-one
CID 20717653
5-Butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-(2-iodophenyl)-6-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717669

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 91237802) is 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one is C=c1[nH]n2c(=O)c(C)c(C3CCCCC3)nc2/c1=N/c1ccc(N(C)C)cc1C.
What is the InChIKey of 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YDHVSVVDMODQJV-DARPEHSRSA-N. The full InChI is InChI=1S/C23H29N5O/c1-14-13-18(27(4)5)11-12-19(14)24-21-16(3)26-28-22(21)25-20(15(2)23(28)29)17-9-7-6-8-10-17/h11-13,17,26H,3,6-10H2,1-2,4-5H3/b24-21+.
What are the key properties of 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 391.52 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[4-(dimethylamino)-2-methylphenyl]imino-6-methyl-2-methylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91237802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).