2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide

C18H20ClN5O2 — CID 74801520

IUPAC2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide
SMILESCC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2ccccc2Cl)N1
InChIInChI=1S/C18H20ClN5O2/c1-10-8-16(25)22-18(20-10)24-15(9-14(23-24)11-6-7-11)21-17(26)12-4-2-3-5-13(12)19/h2-5,9-11,18,20H,6-8H2,1H3,(H,21,26)(H,22,25)
InChIKeyJZFNNNFRJHQLQY-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.62
Rot. Bonds4

About 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide

2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide (PubChem CID 74801520) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide
PubChem CID74801520
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide
SMILESCC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2ccccc2Cl)N1
InChIInChI=1S/C18H20ClN5O2/c1-10-8-16(25)22-18(20-10)24-15(9-14(23-24)11-6-7-11)21-17(26)12-4-2-3-5-13(12)19/h2-5,9-11,18,20H,6-8H2,1H3,(H,21,26)(H,22,25)
InChIKeyJZFNNNFRJHQLQY-UHFFFAOYSA-N
XLogP2.62
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide with MolForge

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Related Compounds

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 74801569
2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713973
N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 74801753
N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 74801743
N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide
CID 74801693
5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea
CID 74924579
1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924593
3-cyclohexyl-N-[3-cyclopropyl-1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)pyrazol-5-yl]propanamide
CID 74801890
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide (CID 74801520) is 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide is CC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2ccccc2Cl)N1.
What is the InChIKey of 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide?
The InChIKey is JZFNNNFRJHQLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-10-8-16(25)22-18(20-10)24-15(9-14(23-24)11-6-7-11)21-17(26)12-4-2-3-5-13(12)19/h2-5,9-11,18,20H,6-8H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide?
2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide has a molecular weight of 373.84 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 74801520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).