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

C19H20FN5O2 — CID 72855901

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cnn(Cc3cccc(F)c3)c2)on1
InChIInChI=1S/C19H20FN5O2/c1-13-8-18(27-23-13)17-6-3-7-25(17)19(26)22-16-10-21-24(12-16)11-14-4-2-5-15(20)9-14/h2,4-5,8-10,12,17H,3,6-7,11H2,1H3,(H,22,26)
InChIKeyNKXHDFWEDATAIY-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.74
Rot. Bonds4

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 72855901) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID72855901
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cnn(Cc3cccc(F)c3)c2)on1
InChIInChI=1S/C19H20FN5O2/c1-13-8-18(27-23-13)17-6-3-7-25(17)19(26)22-16-10-21-24(12-16)11-14-4-2-5-15(20)9-14/h2,4-5,8-10,12,17H,3,6-7,11H2,1H3,(H,22,26)
InChIKeyNKXHDFWEDATAIY-UHFFFAOYSA-N
XLogP3.74
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 72925424
N-(1-ethylpyrazol-4-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 75461427
(2R)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126442227
(2S)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126442228
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559
(2R)-N-(3-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95080012
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
5-[(2S)-1-[(3-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584498
1-[2-(azepan-1-yl)ethyl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylurea
CID 118792353
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 94121216
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 72855901) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)Nc2cnn(Cc3cccc(F)c3)c2)on1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is NKXHDFWEDATAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-13-8-18(27-23-13)17-6-3-7-25(17)19(26)22-16-10-21-24(12-16)11-14-4-2-5-15(20)9-14/h2,4-5,8-10,12,17H,3,6-7,11H2,1H3,(H,22,26).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72855901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).