N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide

C17H19F2N5O — CID 166292760

IUPACN-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cn(CC2CC2)nn1)N1CCCC1c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N5O/c18-12-5-6-14(19)13(8-12)15-2-1-7-24(15)17(25)20-16-10-23(22-21-16)9-11-3-4-11/h5-6,8,10-11,15H,1-4,7,9H2,(H,20,25)
InChIKeyQENPECPAXIHSNV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide

N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 166292760) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide
PubChem CID166292760
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC NameN-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cn(CC2CC2)nn1)N1CCCC1c1cc(F)ccc1F
InChIInChI=1S/C17H19F2N5O/c18-12-5-6-14(19)13(8-12)15-2-1-7-24(15)17(25)20-16-10-23(22-21-16)9-11-3-4-11/h5-6,8,10-11,15H,1-4,7,9H2,(H,20,25)
InChIKeyQENPECPAXIHSNV-UHFFFAOYSA-N
XLogP3.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 97283816
(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone
CID 166274673
(1S)-7-fluoro-1-methyl-N-(1-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97445913
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide
CID 167890494
6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 166330239
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
ethyl 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,5-dimethylimidazole-4-carboxylate
CID 167969435
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
N-tert-butyl-5-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]-2-fluorobenzenesulfonamide
CID 166330291
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide (CID 166292760) is N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1cn(CC2CC2)nn1)N1CCCC1c1cc(F)ccc1F.
What is the InChIKey of N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is QENPECPAXIHSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c18-12-5-6-14(19)13(8-12)15-2-1-7-24(15)17(25)20-16-10-23(22-21-16)9-11-3-4-11/h5-6,8,10-11,15H,1-4,7,9H2,(H,20,25).
What are the key properties of N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide?
N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166292760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).