4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

C17H16ClN5O2 — CID 135753079

IUPAC4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H16ClN5O2/c1-3-13-9-15(24)21-17(19-13)23-14(8-10(2)22-23)20-16(25)11-4-6-12(18)7-5-11/h4-9H,3H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyMXFGWUICDCDPNQ-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.73
Rot. Bonds4

About 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 135753079) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
PubChem CID135753079
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H16ClN5O2/c1-3-13-9-15(24)21-17(19-13)23-14(8-10(2)22-23)20-16(25)11-4-6-12(18)7-5-11/h4-9H,3H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyMXFGWUICDCDPNQ-UHFFFAOYSA-N
XLogP2.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 135753079) is 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is MXFGWUICDCDPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-3-13-9-15(24)21-17(19-13)23-14(8-10(2)22-23)20-16(25)11-4-6-12(18)7-5-11/h4-9H,3H2,1-2H3,(H,20,25)(H,19,21,24).
What are the key properties of 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 357.80 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 135753079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).