N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide

C9H10F3N5O — CID 118154817

IUPACN-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide
SMILESC=C/N=C(\NC(C)=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H10F3N5O/c1-3-13-8(14-5(2)18)15-7-4-6(16-17-7)9(10,11)12/h3-4H,1H2,2H3,(H3,13,14,15,16,17,18)
InChIKeyPYKGWNLQTIXSQX-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.48
Rot. Bonds2

About N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide

N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide (PubChem CID 118154817) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide
PubChem CID118154817
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC NameN-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide
SMILESC=C/N=C(\NC(C)=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H10F3N5O/c1-3-13-8(14-5(2)18)15-7-4-6(16-17-7)9(10,11)12/h3-4H,1H2,2H3,(H3,13,14,15,16,17,18)
InChIKeyPYKGWNLQTIXSQX-UHFFFAOYSA-N
XLogP1.48
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
2-amino-N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propanamide
CID 75449519
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide
CID 97341571
N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 5246311
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 162645359
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 59492320
[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 68818176
N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-3,3-dimethylbutanamide
CID 72694492
N-[N'-(2-hydroxy-2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-3,3-dimethylbutanamide
CID 72694587
N-[N'-(1-methoxypropan-2-yl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-3-methylbutanamide
CID 72694591

Frequently Asked Questions

What is the IUPAC name of N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide?
The IUPAC name of N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide (CID 118154817) is N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide is C=C/N=C(\NC(C)=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide?
The InChIKey is PYKGWNLQTIXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-3-13-8(14-5(2)18)15-7-4-6(16-17-7)9(10,11)12/h3-4H,1H2,2H3,(H3,13,14,15,16,17,18).
What are the key properties of N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide?
N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide has a molecular weight of 261.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide is sourced from PubChem (CID 118154817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).