1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione

C21H25N5O4 — CID 136804888

IUPAC1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
SMILESCCC(=O)N1N=C(c2c(O)n(C3CCCCC3)c(=O)[nH]c2=O)C[C@@H]1c1cccnc1
InChIInChI=1S/C21H25N5O4/c1-2-17(27)26-16(13-7-6-10-22-12-13)11-15(24-26)18-19(28)23-21(30)25(20(18)29)14-8-4-3-5-9-14/h6-7,10,12,14,16,29H,2-5,8-9,11H2,1H3,(H,23,28,30)/t16-/m1/s1
InChIKeyUXTLIXXAPXLONT-MRXNPFEDSA-N
MW411.46 g/mol
LogP2.23
Rot. Bonds4

About 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione

1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione (PubChem CID 136804888) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
PubChem CID136804888
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
SMILESCCC(=O)N1N=C(c2c(O)n(C3CCCCC3)c(=O)[nH]c2=O)C[C@@H]1c1cccnc1
InChIInChI=1S/C21H25N5O4/c1-2-17(27)26-16(13-7-6-10-22-12-13)11-15(24-26)18-19(28)23-21(30)25(20(18)29)14-8-4-3-5-9-14/h6-7,10,12,14,16,29H,2-5,8-9,11H2,1H3,(H,23,28,30)/t16-/m1/s1
InChIKeyUXTLIXXAPXLONT-MRXNPFEDSA-N
XLogP2.23
TPSA120.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-5-[(3S)-3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804857
1-cyclohexyl-6-hydroxy-5-[(3R)-3-(2-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
CID 136804878
1-cyclohexyl-5-[(3R)-3-(2,5-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804862
1-cyclohexyl-5-[(3S)-3-(2,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxypyrimidine-2,4-dione
CID 136804863
5-[(3R)-2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
CID 136718262
5-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
CID 136830629
5-[(3R)-2-acetyl-3-(2-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-cyclohexyl-6-hydroxypyrimidine-2,4-dione
CID 136830688
1-(3-chlorophenyl)-6-hydroxy-5-[(3S)-3-(4-hydroxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
CID 136805005
6-hydroxy-1-methyl-5-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
CID 136805097
5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 135970333
5-[(3S)-3-(4-chlorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 136804965
5-[3-(3,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 135970334

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione (CID 136804888) is 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione is CCC(=O)N1N=C(c2c(O)n(C3CCCCC3)c(=O)[nH]c2=O)C[C@@H]1c1cccnc1.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?
The InChIKey is UXTLIXXAPXLONT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-2-17(27)26-16(13-7-6-10-22-12-13)11-15(24-26)18-19(28)23-21(30)25(20(18)29)14-8-4-3-5-9-14/h6-7,10,12,14,16,29H,2-5,8-9,11H2,1H3,(H,23,28,30)/t16-/m1/s1.
What are the key properties of 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione?
1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione has a molecular weight of 411.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-hydroxy-5-[(3R)-2-propanoyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 136804888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).