N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C18H22FN5O2 — CID 126788566

IUPACN-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1C1CCCN1C(=O)Nc1cc(F)ccc1OCC1CC1
InChIInChI=1S/C18H22FN5O2/c1-23-11-20-22-17(23)15-3-2-8-24(15)18(25)21-14-9-13(19)6-7-16(14)26-10-12-4-5-12/h6-7,9,11-12,15H,2-5,8,10H2,1H3,(H,21,25)
InChIKeyNHBZGAOZEPATLG-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 126788566) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID126788566
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC NameN-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1C1CCCN1C(=O)Nc1cc(F)ccc1OCC1CC1
InChIInChI=1S/C18H22FN5O2/c1-23-11-20-22-17(23)15-3-2-8-24(15)18(25)21-14-9-13(19)6-7-16(14)26-10-12-4-5-12/h6-7,9,11-12,15H,2-5,8,10H2,1H3,(H,21,25)
InChIKeyNHBZGAOZEPATLG-UHFFFAOYSA-N
XLogP3.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126776643
N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126794752
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124886177
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136556101
N-[2-(2,3-difluorophenyl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 146085568
N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521633
(2S)-N-[(2S)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735946
(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735945
N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 136519378
(2R)-N-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252732

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 126788566) is N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is Cn1cnnc1C1CCCN1C(=O)Nc1cc(F)ccc1OCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is NHBZGAOZEPATLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-23-11-20-22-17(23)15-3-2-8-24(15)18(25)21-14-9-13(19)6-7-16(14)26-10-12-4-5-12/h6-7,9,11-12,15H,2-5,8,10H2,1H3,(H,21,25).
What are the key properties of N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126788566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).