methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate

C16H15ClF3N3O3 — CID 134393619

IUPACmethyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C16H15ClF3N3O3/c1-25-14(24)10-9-21-12(8-11(10)17)23-6-2-13(22-23)26-7-5-15(3-4-15)16(18,19)20/h2,6,8-9H,3-5,7H2,1H3
InChIKeyKDRGEKAIGUDOAY-UHFFFAOYSA-N
MW389.76 g/mol
LogP3.82
Rot. Bonds6

About methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate

methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate (PubChem CID 134393619) has the molecular formula C16H15ClF3N3O3 and a molecular weight of 389.76 g/mol. Its IUPAC name is methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate
PubChem CID134393619
Molecular FormulaC16H15ClF3N3O3
Molecular Weight389.76 g/mol
Exact Mass389.08
IUPAC Namemethyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl
InChIInChI=1S/C16H15ClF3N3O3/c1-25-14(24)10-9-21-12(8-11(10)17)23-6-2-13(22-23)26-7-5-15(3-4-15)16(18,19)20/h2,6,8-9H,3-5,7H2,1H3
InChIKeyKDRGEKAIGUDOAY-UHFFFAOYSA-N
XLogP3.82
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate (CID 134393619) is methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate is COC(=O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.
What is the InChIKey of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate?
The InChIKey is KDRGEKAIGUDOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3/c1-25-14(24)10-9-21-12(8-11(10)17)23-6-2-13(22-23)26-7-5-15(3-4-15)16(18,19)20/h2,6,8-9H,3-5,7H2,1H3.
What are the key properties of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate?
methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate has a molecular weight of 389.76 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 134393619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).