N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide

C9H8ClN5O — CID 103123881

IUPACN-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccnc(Cl)n2)n1
InChIInChI=1S/C9H8ClN5O/c1-15-5-3-6(14-15)8(16)12-7-2-4-11-9(10)13-7/h2-5H,1H3,(H,11,12,13,16)
InChIKeyDRPRYWSXJDXCOL-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.12
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide

N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 103123881) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide
PubChem CID103123881
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC NameN-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccnc(Cl)n2)n1
InChIInChI=1S/C9H8ClN5O/c1-15-5-3-6(14-15)8(16)12-7-2-4-11-9(10)13-7/h2-5H,1H3,(H,11,12,13,16)
InChIKeyDRPRYWSXJDXCOL-UHFFFAOYSA-N
XLogP1.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 102674262
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)-2H-triazole-4-carboxamide
CID 116795222
1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide
CID 107499822
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide (CID 103123881) is N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccnc(Cl)n2)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is DRPRYWSXJDXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-15-5-3-6(14-15)8(16)12-7-2-4-11-9(10)13-7/h2-5H,1H3,(H,11,12,13,16).
What are the key properties of N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide?
N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103123881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).