3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide

C18H17N5O2 — CID 143035557

IUPAC3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cc(C(N)=O)c(NC(N)=O)n2)cc1
InChIInChI=1S/C18H17N5O2/c1-11-4-2-3-5-14(11)12-6-8-13(9-7-12)23-10-15(16(19)24)17(22-23)21-18(20)25/h2-10H,1H3,(H2,19,24)(H3,20,21,22,25)
InChIKeyWEHBUMQALZHWEM-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.44
Rot. Bonds4

About 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide

3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide (PubChem CID 143035557) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide
PubChem CID143035557
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cc(C(N)=O)c(NC(N)=O)n2)cc1
InChIInChI=1S/C18H17N5O2/c1-11-4-2-3-5-14(11)12-6-8-13(9-7-12)23-10-15(16(19)24)17(22-23)21-18(20)25/h2-10H,1H3,(H2,19,24)(H3,20,21,22,25)
InChIKeyWEHBUMQALZHWEM-UHFFFAOYSA-N
XLogP2.44
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 11379910
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
3-(methylamino)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 143035625
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
CID 175080965
3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 91675755
4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
CID 143035629
1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369468
1-[4-[3-[ethenyl-[(Z)-ethylideneamino]amino]phenyl]phenyl]-3-(methylamino)pyrazole-4-carboxamide
CID 143035610
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea
CID 153341446

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide (CID 143035557) is 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide is Cc1ccccc1-c1ccc(-n2cc(C(N)=O)c(NC(N)=O)n2)cc1.
What is the InChIKey of 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is WEHBUMQALZHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-4-2-3-5-14(11)12-6-8-13(9-7-12)23-10-15(16(19)24)17(22-23)21-18(20)25/h2-10H,1H3,(H2,19,24)(H3,20,21,22,25).
What are the key properties of 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide?
3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-1-[4-(2-methylphenyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 143035557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).