N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H17F3N4O — CID 4855844

IUPACN-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCCCC1=NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-9-4-2-3-5-10(9)17-18-12(21)8-20-7-6-11(19-20)13(14,15)16/h6-7,9H,2-5,8H2,1H3,(H,18,21)
InChIKeyIHNKRMACYOFFHF-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.58
Rot. Bonds3

About N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4855844) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4855844
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCCCC1=NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-9-4-2-3-5-10(9)17-18-12(21)8-20-7-6-11(19-20)13(14,15)16/h6-7,9H,2-5,8H2,1H3,(H,18,21)
InChIKeyIHNKRMACYOFFHF-UHFFFAOYSA-N
XLogP2.58
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-Trifluoromethyl-pyrazol-1-yl)-acetic acid hydrazide
CID 2064142
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
N-[(Z)-(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6219663
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
N-(hexan-2-ylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4350479
N-[(E)-hexan-2-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9658809
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
N-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
CID 71899330
2-[3-(Trifluoromethyl)pyrazolyl]acetamide
CID 2809216
2-[3-(Trifluoromethyl)pyrazol-1-yl]propanamide
CID 62901624
2-[3-(Trifluoromethyl)pyrazol-1-yl]butanamide
CID 62901625
2-Methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 173960766

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4855844) is N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC1CCCCC1=NNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IHNKRMACYOFFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-9-4-2-3-5-10(9)17-18-12(21)8-20-7-6-11(19-20)13(14,15)16/h6-7,9H,2-5,8H2,1H3,(H,18,21).
What are the key properties of N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4855844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).