N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide

C16H19ClF3N5O — CID 19323936

IUPACN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H19ClF3N5O/c1-2-24-11(6-8-22-24)15(26)21-7-3-9-25-13(10-4-5-10)12(17)14(23-25)16(18,19)20/h6,8,10H,2-5,7,9H2,1H3,(H,21,26)
InChIKeyWVWOUSHQVKGFEV-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.47
Rot. Bonds7

About N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19323936) has the molecular formula C16H19ClF3N5O and a molecular weight of 389.81 g/mol. Its IUPAC name is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide
PubChem CID19323936
Molecular FormulaC16H19ClF3N5O
Molecular Weight389.81 g/mol
Exact Mass389.12
IUPAC NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C16H19ClF3N5O/c1-2-24-11(6-8-22-24)15(26)21-7-3-9-25-13(10-4-5-10)12(17)14(23-25)16(18,19)20/h6,8,10H,2-5,7,9H2,1H3,(H,21,26)
InChIKeyWVWOUSHQVKGFEV-UHFFFAOYSA-N
XLogP3.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide 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-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide (CID 19323936) is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is WVWOUSHQVKGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N5O/c1-2-24-11(6-8-22-24)15(26)21-7-3-9-25-13(10-4-5-10)12(17)14(23-25)16(18,19)20/h6,8,10H,2-5,7,9H2,1H3,(H,21,26).
What are the key properties of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide?
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 389.81 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19323936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).