(2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide

C21H25N5O2 — CID 135551420

IUPAC(2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H](CC)c2ccccc2)n1
InChIInChI=1S/C21H25N5O2/c1-4-9-16-13-19(27)24-21(22-16)26-18(12-14(3)25-26)23-20(28)17(5-2)15-10-7-6-8-11-15/h6-8,10-13,17H,4-5,9H2,1-3H3,(H,23,28)(H,22,24,27)/t17-/m1/s1
InChIKeyKOTDUKAFCDYLDR-QGZVFWFLSA-N
MW379.46 g/mol
LogP3.35
Rot. Bonds7

About (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide

(2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide (PubChem CID 135551420) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
PubChem CID135551420
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H](CC)c2ccccc2)n1
InChIInChI=1S/C21H25N5O2/c1-4-9-16-13-19(27)24-21(22-16)26-18(12-14(3)25-26)23-20(28)17(5-2)15-10-7-6-8-11-15/h6-8,10-13,17H,4-5,9H2,1-3H3,(H,23,28)(H,22,24,27)/t17-/m1/s1
InChIKeyKOTDUKAFCDYLDR-QGZVFWFLSA-N
XLogP3.35
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylprop-2-enamide
CID 135753251
(E)-4-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-4-oxobut-2-enoic acid
CID 135551446
4-fluoro-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753227
3-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753232
ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 135753198
(E)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]but-2-enamide
CID 135753195
4-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753214
4-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753233
2-(4-fluorophenyl)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753272
2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753266
N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-phenylbutanamide
CID 136605773
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide
CID 135752975

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide (CID 135551420) is (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H](CC)c2ccccc2)n1.
What is the InChIKey of (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide?
The InChIKey is KOTDUKAFCDYLDR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-9-16-13-19(27)24-21(22-16)26-18(12-14(3)25-26)23-20(28)17(5-2)15-10-7-6-8-11-15/h6-8,10-13,17H,4-5,9H2,1-3H3,(H,23,28)(H,22,24,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide?
(2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide has a molecular weight of 379.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-phenylbutanamide is sourced from PubChem (CID 135551420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).