(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

C17H21FN4O2 — CID 97029592

IUPAC(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1
InChIInChI=1S/C17H21FN4O2/c1-2-24-12-13-7-8-21(10-13)17(23)20-14-9-19-22(11-14)16-6-4-3-5-15(16)18/h3-6,9,11,13H,2,7-8,10,12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyMYWYAPWLMBPSRE-ZDUSSCGKSA-N
MW332.38 g/mol
LogP2.90
Rot. Bonds5

About (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 97029592) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID97029592
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCCOC[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1
InChIInChI=1S/C17H21FN4O2/c1-2-24-12-13-7-8-21(10-13)17(23)20-14-9-19-22(11-14)16-6-4-3-5-15(16)18/h3-6,9,11,13H,2,7-8,10,12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyMYWYAPWLMBPSRE-ZDUSSCGKSA-N
XLogP2.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452
(3S)-3-(ethoxymethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 97240765
(3R)-3-(ethoxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99831664
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 71849484
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446
3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
CID 111458967
N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634436
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
3-(ethoxymethyl)-N-(4-ethyl-3-nitrophenyl)pyrrolidine-1-carboxamide
CID 75376309
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794110
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (CID 97029592) is (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is CCOC[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)C1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is MYWYAPWLMBPSRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-24-12-13-7-8-21(10-13)17(23)20-14-9-19-22(11-14)16-6-4-3-5-15(16)18/h3-6,9,11,13H,2,7-8,10,12H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
(3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97029592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).