N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide

C19H25N5O2 — CID 137049138

IUPACN-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H25N5O2/c1-12-15(18(26)23(2)13-7-4-3-5-8-13)11-20-24(12)19-21-16-10-6-9-14(16)17(25)22-19/h11,13H,3-10H2,1-2H3,(H,21,22,25)
InChIKeyALAHXDBJLTUHDX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.16
Rot. Bonds3

About N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide

N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 137049138) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID137049138
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H25N5O2/c1-12-15(18(26)23(2)13-7-4-3-5-8-13)11-20-24(12)19-21-16-10-6-9-14(16)17(25)22-19/h11,13H,3-10H2,1-2H3,(H,21,22,25)
InChIKeyALAHXDBJLTUHDX-UHFFFAOYSA-N
XLogP2.16
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-[5-Methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049663
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-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035916
N-cyclopentyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 136035921

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide (CID 137049138) is N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)C2CCCCC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is ALAHXDBJLTUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-15(18(26)23(2)13-7-4-3-5-8-13)11-20-24(12)19-21-16-10-6-9-14(16)17(25)22-19/h11,13H,3-10H2,1-2H3,(H,21,22,25).
What are the key properties of N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).