N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide

C18H19N5O — CID 134701351

IUPACN-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCCn1ncc(C)c1NC(=O)c1cnc(C)nc1-c1ccccc1
InChIInChI=1S/C18H19N5O/c1-4-23-17(12(2)10-20-23)22-18(24)15-11-19-13(3)21-16(15)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyDKDJPNYIUBNBOV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.23
Rot. Bonds4

About N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide

N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 134701351) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide
PubChem CID134701351
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCCn1ncc(C)c1NC(=O)c1cnc(C)nc1-c1ccccc1
InChIInChI=1S/C18H19N5O/c1-4-23-17(12(2)10-20-23)22-18(24)15-11-19-13(3)21-16(15)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyDKDJPNYIUBNBOV-UHFFFAOYSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
N-(3-methoxy-2-methyl-4-pyridinyl)-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 157012325
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131889333
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755
N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913659
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-4-phenylpyrimidine-5-carboxamide
CID 131907566
4-(3-bromophenyl)-2-methylpyrimidine-5-carbohydrazide
CID 69457444
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
1-ethyl-5-methyl-N-(1-methylbenzimidazol-2-yl)pyrazole-4-carboxamide
CID 19280706

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide (CID 134701351) is N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide is CCn1ncc(C)c1NC(=O)c1cnc(C)nc1-c1ccccc1.
What is the InChIKey of N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is DKDJPNYIUBNBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-4-23-17(12(2)10-20-23)22-18(24)15-11-19-13(3)21-16(15)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide?
N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methylpyrazol-5-yl)-2-methyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 134701351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).