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

C14H18ClN5O2 — CID 135753051

IUPAC4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CCCCl)n1
InChIInChI=1S/C14H18ClN5O2/c1-3-10-8-13(22)18-14(16-10)20-11(7-9(2)19-20)17-12(21)5-4-6-15/h7-8H,3-6H2,1-2H3,(H,17,21)(H,16,18,22)
InChIKeyHJWOFBIOKDSYNK-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.78
Rot. Bonds6

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

4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide (PubChem CID 135753051) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide
PubChem CID135753051
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CCCCl)n1
InChIInChI=1S/C14H18ClN5O2/c1-3-10-8-13(22)18-14(16-10)20-11(7-9(2)19-20)17-12(21)5-4-6-15/h7-8H,3-6H2,1-2H3,(H,17,21)(H,16,18,22)
InChIKeyHJWOFBIOKDSYNK-UHFFFAOYSA-N
XLogP1.78
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 136636840
2-benzylsulfanyl-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 135753119
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 135731875
4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
CID 136606406
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-(hydroxymethyl)benzamide
CID 156672559
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
CID 135731872
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 136636838
4-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
CID 135551816
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 135753066
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
CID 136641293
2-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 135753087
(1R,6S)-6-[[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 135753170

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]butanamide?
The IUPAC name of 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide (CID 135753051) is 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)CCCCl)n1.
What is the InChIKey of 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide?
The InChIKey is HJWOFBIOKDSYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-3-10-8-13(22)18-14(16-10)20-11(7-9(2)19-20)17-12(21)5-4-6-15/h7-8H,3-6H2,1-2H3,(H,17,21)(H,16,18,22).
What are the key properties of 4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide?
4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide has a molecular weight of 323.78 g/mol, XLogP of 1.78, 6 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]butanamide is sourced from PubChem (CID 135753051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).