N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide

C11H12ClN5O2 — CID 114053520

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C11H12ClN5O2/c1-6-7(5-17(2)16-6)10(18)15-11-13-8(12)4-9(14-11)19-3/h4-5H,1-3H3,(H,13,14,15,18)
InChIKeyREQURNCYVAJQCS-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.43
Rot. Bonds3

About N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 114053520) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID114053520
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1cc(Cl)nc(NC(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C11H12ClN5O2/c1-6-7(5-17(2)16-6)10(18)15-11-13-8(12)4-9(14-11)19-3/h4-5H,1-3H3,(H,13,14,15,18)
InChIKeyREQURNCYVAJQCS-UHFFFAOYSA-N
XLogP1.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
CID 114053499
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114053534
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
1-(2-aminoethyl)-N-(4,6-dimethoxypyrimidin-2-yl)imidazole-4-carboxamide
CID 107625841
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide (CID 114053520) is N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide is COc1cc(Cl)nc(NC(=O)c2cn(C)nc2C)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is REQURNCYVAJQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-6-7(5-17(2)16-6)10(18)15-11-13-8(12)4-9(14-11)19-3/h4-5H,1-3H3,(H,13,14,15,18).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 281.70 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 114053520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).