N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide

C14H12N3O2- — CID 163629755

IUPACN-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N([O-])C2=CC2)cnn1-c1ccccc1
InChIInChI=1S/C14H12N3O2/c1-10-13(14(18)17(19)12-7-8-12)9-15-16(10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/q-1
InChIKeyCJXIDWCFECWUJQ-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.41
Rot. Bonds3

About N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide

N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide (PubChem CID 163629755) has the molecular formula C14H12N3O2- and a molecular weight of 254.27 g/mol. Its IUPAC name is N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
PubChem CID163629755
Molecular FormulaC14H12N3O2-
Molecular Weight254.27 g/mol
Exact Mass254.09
IUPAC NameN-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N([O-])C2=CC2)cnn1-c1ccccc1
InChIInChI=1S/C14H12N3O2/c1-10-13(14(18)17(19)12-7-8-12)9-15-16(10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/q-1
InChIKeyCJXIDWCFECWUJQ-UHFFFAOYSA-N
XLogP2.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
(2S)-2-[methyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 99849354
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
methyl 4-(5-methyl-1-phenylpyrazol-4-yl)-2,4-dioxobutanoate
CID 4736888
5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262
N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 70833297
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
(5-methyl-1-phenylpyrazol-4-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332028

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide (CID 163629755) is N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)N([O-])C2=CC2)cnn1-c1ccccc1.
What is the InChIKey of N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide?
The InChIKey is CJXIDWCFECWUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3O2/c1-10-13(14(18)17(19)12-7-8-12)9-15-16(10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/q-1.
What are the key properties of N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide?
N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide has a molecular weight of 254.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 163629755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).