1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea

C19H26N6O2 — CID 74925017

IUPAC1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCCCC2)n(C2=NC(=O)C3CCCCC3=N2)n1
InChIInChI=1S/C19H26N6O2/c1-12-11-16(22-19(27)20-13-7-3-2-4-8-13)25(24-12)18-21-15-10-6-5-9-14(15)17(26)23-18/h11,13-14H,2-10H2,1H3,(H2,20,22,27)
InChIKeyMFNSERULWSFVOZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.02
Rot. Bonds2

About 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea

1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea (PubChem CID 74925017) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
PubChem CID74925017
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)NC2CCCCC2)n(C2=NC(=O)C3CCCCC3=N2)n1
InChIInChI=1S/C19H26N6O2/c1-12-11-16(22-19(27)20-13-7-3-2-4-8-13)25(24-12)18-21-15-10-6-5-9-14(15)17(26)23-18/h11,13-14H,2-10H2,1H3,(H2,20,22,27)
InChIKeyMFNSERULWSFVOZ-UHFFFAOYSA-N
XLogP3.02
TPSA100.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]pentanamide
CID 78715775
ethyl 2-[[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 78715844
N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 73339975
N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339996
N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 73339991
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 73339977
N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-N-(3-phenylpropyl)oxamide
CID 73340006
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 74802004
N-[1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783866
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
5-cyclopropyl-N-[3-cyclopropyl-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 74801969

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea (CID 74925017) is 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea is Cc1cc(NC(=O)NC2CCCCC2)n(C2=NC(=O)C3CCCCC3=N2)n1.
What is the InChIKey of 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea?
The InChIKey is MFNSERULWSFVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-11-16(22-19(27)20-13-7-3-2-4-8-13)25(24-12)18-21-15-10-6-5-9-14(15)17(26)23-18/h11,13-14H,2-10H2,1H3,(H2,20,22,27).
What are the key properties of 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea?
1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea has a molecular weight of 370.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)pyrazol-3-yl]urea is sourced from PubChem (CID 74925017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).