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

C18H19ClF3N3O2 — CID 19323971

IUPACN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C18H19ClF3N3O2/c1-27-13-6-3-2-5-12(13)17(26)23-9-4-10-25-15(11-7-8-11)14(19)16(24-25)18(20,21)22/h2-3,5-6,11H,4,7-10H2,1H3,(H,23,26)
InChIKeyZPXATAYHGAPMBJ-UHFFFAOYSA-N
MW401.82 g/mol
LogP4.26
Rot. Bonds7

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

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide (PubChem CID 19323971) has the molecular formula C18H19ClF3N3O2 and a molecular weight of 401.82 g/mol. Its IUPAC name is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
PubChem CID19323971
Molecular FormulaC18H19ClF3N3O2
Molecular Weight401.82 g/mol
Exact Mass401.11
IUPAC NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C18H19ClF3N3O2/c1-27-13-6-3-2-5-12(13)17(26)23-9-4-10-25-15(11-7-8-11)14(19)16(24-25)18(20,21)22/h2-3,5-6,11H,4,7-10H2,1H3,(H,23,26)
InChIKeyZPXATAYHGAPMBJ-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-methoxy-2-methylbenzamide
CID 19326115
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768806
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-diethoxybenzamide
CID 19323952
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-ethylbutanamide
CID 19323958
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[(2-chlorophenoxy)methyl]benzamide
CID 19323983
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopropanecarboxamide
CID 19323953
1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxyethyl)thiourea
CID 19334471
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 19323932
1-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-phenylethyl)thiourea
CID 19334431
(E)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19323965
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19324013
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-methyl-4-nitrobenzamide
CID 19323969

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide (CID 19323971) is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide is COc1ccccc1C(=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-methoxybenzamide?
The InChIKey is ZPXATAYHGAPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O2/c1-27-13-6-3-2-5-12(13)17(26)23-9-4-10-25-15(11-7-8-11)14(19)16(24-25)18(20,21)22/h2-3,5-6,11H,4,7-10H2,1H3,(H,23,26).
What are the key properties of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide has a molecular weight of 401.82 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-methoxybenzamide is sourced from PubChem (CID 19323971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).