5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide

C19H24N6O3 — CID 137128051

IUPAC5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)N2CCC(C)CC2)c(C(N)=O)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H24N6O3/c1-10-6-8-24(9-7-10)18(28)14-11(2)25(23-15(14)16(20)26)19-21-13-5-3-4-12(13)17(27)22-19/h10H,3-9H2,1-2H3,(H2,20,26)(H,21,22,27)
InChIKeyDDPNRDSZLNIORT-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.72
Rot. Bonds3

About 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide

5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide (PubChem CID 137128051) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide
PubChem CID137128051
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)N2CCC(C)CC2)c(C(N)=O)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H24N6O3/c1-10-6-8-24(9-7-10)18(28)14-11(2)25(23-15(14)16(20)26)19-21-13-5-3-4-12(13)17(27)22-19/h10H,3-9H2,1-2H3,(H2,20,26)(H,21,22,27)
InChIKeyDDPNRDSZLNIORT-UHFFFAOYSA-N
XLogP0.72
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049135
2-[4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049322
2-[5-methyl-4-[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049148
2-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049317
2-[5-methyl-4-[4-(4-phenyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049654
2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135984523
2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136920533
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
CID 135892239
N-cyclohexyl-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954203
2-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551814
N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide
CID 137095093
cis-(1S,2R)-2-[[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135551948

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide (CID 137128051) is 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide is Cc1c(C(=O)N2CCC(C)CC2)c(C(N)=O)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide?
The InChIKey is DDPNRDSZLNIORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-10-6-8-24(9-7-10)18(28)14-11(2)25(23-15(14)16(20)26)19-21-13-5-3-4-12(13)17(27)22-19/h10H,3-9H2,1-2H3,(H2,20,26)(H,21,22,27).
What are the key properties of 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide?
5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylpiperidine-1-carbonyl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 137128051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).