N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide

C11H11N5O2 — CID 60786492

IUPACN-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H11N5O2/c12-11(18)16-9-3-1-8(2-4-9)15-10(17)7-5-13-14-6-7/h1-6H,(H,13,14)(H,15,17)(H3,12,16,18)
InChIKeyBHIKGKRHPJJLJW-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.15
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide

N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 60786492) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID60786492
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C11H11N5O2/c12-11(18)16-9-3-1-8(2-4-9)15-10(17)7-5-13-14-6-7/h1-6H,(H,13,14)(H,15,17)(H3,12,16,18)
InChIKeyBHIKGKRHPJJLJW-UHFFFAOYSA-N
XLogP1.15
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43532863
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide
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CID 63085076
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
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N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260747
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-4-carboxamide
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N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide (CID 60786492) is N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide is NC(=O)Nc1ccc(NC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BHIKGKRHPJJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-11(18)16-9-3-1-8(2-4-9)15-10(17)7-5-13-14-6-7/h1-6H,(H,13,14)(H,15,17)(H3,12,16,18).
What are the key properties of N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide?
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60786492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).