2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C20H25N5O3 — CID 137049663

IUPAC2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCC(=O)C1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1
InChIInChI=1S/C20H25N5O3/c1-3-17(26)13-7-9-24(10-8-13)19(28)15-11-21-25(12(15)2)20-22-16-6-4-5-14(16)18(27)23-20/h11,13H,3-10H2,1-2H3,(H,22,23,27)
InChIKeyGGXQIIXAAXNNOL-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.58
Rot. Bonds4

About 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049663) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049663
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCC(=O)C1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1
InChIInChI=1S/C20H25N5O3/c1-3-17(26)13-7-9-24(10-8-13)19(28)15-11-21-25(12(15)2)20-22-16-6-4-5-14(16)18(27)23-20/h11,13H,3-10H2,1-2H3,(H,22,23,27)
InChIKeyGGXQIIXAAXNNOL-UHFFFAOYSA-N
XLogP1.58
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Ethyl-2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049259
4-Ethyl-1-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidine-4-carbonitrile
CID 137049297
(2S)-2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049441
2-[4-(6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049517
2-[5-Methyl-4-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049565
2-[4-Fluoro-1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049570
2-[5-Methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049584
2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]butanenitrile
CID 137049660
1-[1-[5-Methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]cyclopropane-1-carbonitrile
CID 137049686
N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921
N-cyclopentyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035926
2-(4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1H-py
CID 136245321

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049663) is 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CCC(=O)C1CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2C)CC1.
What is the InChIKey of 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is GGXQIIXAAXNNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-17(26)13-7-9-24(10-8-13)19(28)15-11-21-25(12(15)2)20-22-16-6-4-5-14(16)18(27)23-20/h11,13H,3-10H2,1-2H3,(H,22,23,27).
What are the key properties of 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).