4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane

C15H21N5O2 — CID 143035629

IUPAC4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
SMILESCC.Cc1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C
InChIInChI=1S/C13H15N5O2.C2H6/c1-7-3-4-9(5-8(7)2)18-6-10(16-13(15)20)11(17-18)12(14)19;1-2/h3-6H,1-2H3,(H2,14,19)(H3,15,16,20);1-2H3
InChIKeyMMUXNFDBELZKJU-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.10
Rot. Bonds3

About 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane

4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane (PubChem CID 143035629) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane.

Molecular Properties

Compound Name4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
PubChem CID143035629
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
SMILESCC.Cc1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C
InChIInChI=1S/C13H15N5O2.C2H6/c1-7-3-4-9(5-8(7)2)18-6-10(16-13(15)20)11(17-18)12(14)19;1-2/h3-6H,1-2H3,(H2,14,19)(H3,15,16,20);1-2H3
InChIKeyMMUXNFDBELZKJU-UHFFFAOYSA-N
XLogP2.10
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 11379910
1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide
CID 143035594
4-(carbamoylamino)-1-[3-[(3Z)-3-hydrazinylideneprop-1-en-2-yl]phenyl]pyrazole-3-carboxamide
CID 143035693
4-[(3,4-dimethylphenyl)carbamoylamino]-1-methylpyrazole-3-carboxamide
CID 17378532
4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 73386651
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
4-(carbamoylamino)-1-[4-[3-(2-cyanoethyl)phenyl]phenyl]pyrazole-3-carboxamide
CID 11406188
1-[1-(3,4-dimethylphenyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580153
1-(3-ethyl-4-methylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 114250411
4-(ethylamino)-1-(3-ethynylphenyl)pyrazole-3-carboxamide
CID 145143409
1-(3-ethynylphenyl)-4-[(1-methylpyrazol-3-yl)amino]pyrazole-3-carboxamide
CID 145143211

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane?
The IUPAC name of 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane (CID 143035629) is 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane.
What is the SMILES notation for 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane?
The canonical SMILES for 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane is CC.Cc1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C.
What is the InChIKey of 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane?
The InChIKey is MMUXNFDBELZKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2.C2H6/c1-7-3-4-9(5-8(7)2)18-6-10(16-13(15)20)11(17-18)12(14)19;1-2/h3-6H,1-2H3,(H2,14,19)(H3,15,16,20);1-2H3.
What are the key properties of 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane?
4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane has a molecular weight of 303.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane is sourced from PubChem (CID 143035629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).