N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide

C7H10N4O2 — CID 130485672

IUPACN-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(N)=O)nn1C
InChIInChI=1S/C7H10N4O2/c1-4-3-5(10-11(4)2)6(12)9-7(8)13/h3H,1-2H3,(H3,8,9,12,13)
InChIKeyZRBNCBJMPKVLBI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.46
Rot. Bonds1

About N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide

N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 130485672) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID130485672
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(N)=O)nn1C
InChIInChI=1S/C7H10N4O2/c1-4-3-5(10-11(4)2)6(12)9-7(8)13/h3H,1-2H3,(H3,8,9,12,13)
InChIKeyZRBNCBJMPKVLBI-UHFFFAOYSA-N
XLogP-0.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
CID 130497434
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
CID 22305911
1,5-dimethyl-N-(phenylcarbamothioyl)pyrazole-3-carboxamide
CID 174530677
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
CID 159984372
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 119615000
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195
N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685819
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide (CID 130485672) is N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(N)=O)nn1C.
What is the InChIKey of N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ZRBNCBJMPKVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4-3-5(10-11(4)2)6(12)9-7(8)13/h3H,1-2H3,(H3,8,9,12,13).
What are the key properties of N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide?
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 130485672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).