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

C13H17N5O2 — CID 137049245

IUPACN-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C13H17N5O2/c1-5-17(4)12(20)10-7-14-18(9(10)3)13-15-8(2)6-11(19)16-13/h6-7H,5H2,1-4H3,(H,15,16,19)
InChIKeyRPGTUUKOHRUBKE-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.66
Rot. Bonds3

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

N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 137049245) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID137049245
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C13H17N5O2/c1-5-17(4)12(20)10-7-14-18(9(10)3)13-15-8(2)6-11(19)16-13/h6-7H,5H2,1-4H3,(H,15,16,19)
InChIKeyRPGTUUKOHRUBKE-UHFFFAOYSA-N
XLogP0.66
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 126739517
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
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
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,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049038
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide (CID 137049245) is N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is CCN(C)C(=O)c1cnn(-c2nc(C)cc(=O)[nH]2)c1C.
What is the InChIKey of N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is RPGTUUKOHRUBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-5-17(4)12(20)10-7-14-18(9(10)3)13-15-8(2)6-11(19)16-13/h6-7H,5H2,1-4H3,(H,15,16,19).
What are the key properties of N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide?
N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).