4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide

C12H13N5O2 — CID 11379910

IUPAC4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1
InChIInChI=1S/C12H13N5O2/c1-7-2-4-8(5-3-7)17-6-9(15-12(14)19)10(16-17)11(13)18/h2-6H,1H3,(H2,13,18)(H3,14,15,19)
InChIKeyDAHOHUAGRGAWTE-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.77
Rot. Bonds3

About 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide

4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 11379910) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID11379910
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1
InChIInChI=1S/C12H13N5O2/c1-7-2-4-8(5-3-7)17-6-9(15-12(14)19)10(16-17)11(13)18/h2-6H,1H3,(H2,13,18)(H3,14,15,19)
InChIKeyDAHOHUAGRGAWTE-UHFFFAOYSA-N
XLogP0.77
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
CID 143035629
1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
4-(carbamoylamino)-1-[4-[3-(2-cyanoethyl)phenyl]phenyl]pyrazole-3-carboxamide
CID 11406188
4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 73386651
1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine
CID 143035580
4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide
CID 143035693
3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide
CID 143035557
1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide
CID 143035594
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide (CID 11379910) is 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide is Cc1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1.
What is the InChIKey of 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is DAHOHUAGRGAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-2-4-8(5-3-7)17-6-9(15-12(14)19)10(16-17)11(13)18/h2-6H,1H3,(H2,13,18)(H3,14,15,19).
What are the key properties of 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide?
4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 11379910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).