(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C17H20FN5O — CID 124886177

IUPAC(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C17H20FN5O/c1-22-10-19-21-16(22)15-3-2-8-23(15)17(24)20-12-6-7-14(18)13(9-12)11-4-5-11/h6-7,9-11,15H,2-5,8H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyLRQQMXIJYKDPNE-OAHLLOKOSA-N
MW329.38 g/mol
LogP3.20
Rot. Bonds3

About (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 124886177) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID124886177
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C17H20FN5O/c1-22-10-19-21-16(22)15-3-2-8-23(15)17(24)20-12-6-7-14(18)13(9-12)11-4-5-11/h6-7,9-11,15H,2-5,8H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyLRQQMXIJYKDPNE-OAHLLOKOSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252732
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126788566
N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126794752
N-[2-(2,3-difluorophenyl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 146085568
N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 136519378
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126776643
N-(3-ethynylphenyl)-2-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoacetamide
CID 99612659
N-(3-ethynylphenyl)-2-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-oxoacetamide
CID 99612660
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
(2R)-N-[(3-methyl-4-methylsulfanylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252865
N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 136540100
(2S)-N-[(2S)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735946

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 124886177) is (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is Cn1cnnc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(C2CC2)c1.
What is the InChIKey of (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is LRQQMXIJYKDPNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-22-10-19-21-16(22)15-3-2-8-23(15)17(24)20-12-6-7-14(18)13(9-12)11-4-5-11/h6-7,9-11,15H,2-5,8H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124886177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).