ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H19ClN4O3 — CID 7112613

IUPACethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,15H,4H2,1-3H3,(H2,20,21,25)/t15-/m0/s1
InChIKeyQYOUMLMWQPFBBQ-HNNXBMFYSA-N
MW374.83 g/mol
LogP3.03
Rot. Bonds4

About ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 7112613) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID7112613
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Nameethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,15H,4H2,1-3H3,(H2,20,21,25)/t15-/m0/s1
InChIKeyQYOUMLMWQPFBBQ-HNNXBMFYSA-N
XLogP3.03
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5218350
ethyl 4-(1-benzyl-2-chloroindol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
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5-benzoyl-6-methyl-4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidin-2-one
CID 102384051
ethyl (4R)-6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
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CID 7745749
diethyl 5-amino-7-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 17272808
ethyl (4S)-6-methyl-2-oxo-4-[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 7112613) is ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is QYOUMLMWQPFBBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,15H,4H2,1-3H3,(H2,20,21,25)/t15-/m0/s1.
What are the key properties of ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 374.83 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 7112613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).