N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide

C12H12N4O2 — CID 47011305

IUPACN-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C(N)=O)cn1
InChIInChI=1S/C12H12N4O2/c1-16-7-8(6-14-16)12(18)15-10-5-3-2-4-9(10)11(13)17/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKeyHWRUSFHQAPUHTC-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.77
Rot. Bonds3

About N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide

N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 47011305) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID47011305
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2C(N)=O)cn1
InChIInChI=1S/C12H12N4O2/c1-16-7-8(6-14-16)12(18)15-10-5-3-2-4-9(10)11(13)17/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKeyHWRUSFHQAPUHTC-UHFFFAOYSA-N
XLogP0.77
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 28742886
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
CID 110762752
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
N-(4-bromo-2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 82703356
N-[2-(methanesulfonamido)phenyl]-1-methylpyrazole-4-carboxamide
CID 35368634
2-benzamidobenzamide
CID 702115
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770
N-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 36670976
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 141207933

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide (CID 47011305) is N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccccc2C(N)=O)cn1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is HWRUSFHQAPUHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-7-8(6-14-16)12(18)15-10-5-3-2-4-9(10)11(13)17/h2-7H,1H3,(H2,13,17)(H,15,18).
What are the key properties of N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide?
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47011305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).