N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

C12H15N5O2 — CID 137049038

IUPACN,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N(C)C)c2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-5-10(18)15-12(14-7)17-8(2)9(6-13-17)11(19)16(3)4/h5-6H,1-4H3,(H,14,15,18)
InChIKeyOVIRRLKWCWOKQU-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.27
Rot. Bonds2

About N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide

N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 137049038) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID137049038
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N(C)C)c2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-5-10(18)15-12(14-7)17-8(2)9(6-13-17)11(19)16(3)4/h5-6H,1-4H3,(H,14,15,18)
InChIKeyOVIRRLKWCWOKQU-UHFFFAOYSA-N
XLogP0.27
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081196
4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
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
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
N-ethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049040
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 137049041
2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049043
4-methyl-2-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049046
2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-methylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049092

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (CID 137049038) is N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N(C)C)c2C)n1.
What is the InChIKey of N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is OVIRRLKWCWOKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-5-10(18)15-12(14-7)17-8(2)9(6-13-17)11(19)16(3)4/h5-6H,1-4H3,(H,14,15,18).
What are the key properties of N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).