N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide

C16H24F3N5O2 — CID 72694592

IUPACN-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)C/N=C(\NC(=O)CC1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H24F3N5O2/c1-10(2)9-20-15(21-13-8-12(23-24-13)16(17,18)19)22-14(25)7-11-3-5-26-6-4-11/h8,10-11H,3-7,9H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyGACZPLVYNZKOEC-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.79
Rot. Bonds5

About N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide

N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide (PubChem CID 72694592) has the molecular formula C16H24F3N5O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide
PubChem CID72694592
Molecular FormulaC16H24F3N5O2
Molecular Weight375.40 g/mol
Exact Mass375.19
IUPAC NameN-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)C/N=C(\NC(=O)CC1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H24F3N5O2/c1-10(2)9-20-15(21-13-8-12(23-24-13)16(17,18)19)22-14(25)7-11-3-5-26-6-4-11/h8,10-11H,3-7,9H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyGACZPLVYNZKOEC-UHFFFAOYSA-N
XLogP2.79
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide (CID 72694592) is N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide is CC(C)C/N=C(\NC(=O)CC1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide?
The InChIKey is GACZPLVYNZKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O2/c1-10(2)9-20-15(21-13-8-12(23-24-13)16(17,18)19)22-14(25)7-11-3-5-26-6-4-11/h8,10-11H,3-7,9H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide?
N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide has a molecular weight of 375.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 72694592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).