4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide

C14H17N5O2 — CID 17378532

IUPAC4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2cn(C)nc2C(N)=O)cc1C
InChIInChI=1S/C14H17N5O2/c1-8-4-5-10(6-9(8)2)16-14(21)17-11-7-19(3)18-12(11)13(15)20/h4-7H,1-3H3,(H2,15,20)(H2,16,17,21)
InChIKeyRLUMVWRJEALVMG-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.78
Rot. Bonds3

About 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide

4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide (PubChem CID 17378532) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide
PubChem CID17378532
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2cn(C)nc2C(N)=O)cc1C
InChIInChI=1S/C14H17N5O2/c1-8-4-5-10(6-9(8)2)16-14(21)17-11-7-19(3)18-12(11)13(15)20/h4-7H,1-3H3,(H2,15,20)(H2,16,17,21)
InChIKeyRLUMVWRJEALVMG-UHFFFAOYSA-N
XLogP1.78
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498518
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
CID 143035629
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
4-[(4-ethoxyphenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide
CID 17283559
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide (CID 17378532) is 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide is Cc1ccc(NC(=O)Nc2cn(C)nc2C(N)=O)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is RLUMVWRJEALVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-4-5-10(6-9(8)2)16-14(21)17-11-7-19(3)18-12(11)13(15)20/h4-7H,1-3H3,(H2,15,20)(H2,16,17,21).
What are the key properties of 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide?
4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17378532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).