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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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).