(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide

C19H22FN3O2 — CID 128966151

IUPAC(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
SMILESCN(CC1CC1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-22(12-13-2-3-13)19(24)16-9-11-25-18(16)17-8-10-21-23(17)15-6-4-14(20)5-7-15/h4-8,10,13,16,18H,2-3,9,11-12H2,1H3/t16-,18-/m0/s1
InChIKeyATNLEUMYFCBBLG-WMZOPIPTSA-N
MW343.40 g/mol
LogP2.96
Rot. Bonds5

About (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide

(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide (PubChem CID 128966151) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
PubChem CID128966151
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
SMILESCN(CC1CC1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-22(12-13-2-3-13)19(24)16-9-11-25-18(16)17-8-10-21-23(17)15-6-4-14(20)5-7-15/h4-8,10,13,16,18H,2-3,9,11-12H2,1H3/t16-,18-/m0/s1
InChIKeyATNLEUMYFCBBLG-WMZOPIPTSA-N
XLogP2.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(2R,3R)-2-(1-benzyl-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 124709996
rac-(2R,3R)-2-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 125528789
(2S,3S)-2-[1-(2-methylphenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662778
(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 164631078
[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
CID 164636205
(2S,3S)-2-[1-(4-fluorophenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662779
1-[(5S,7S,8R)-8-(4-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110154784
1-[(5S,7S,8R)-8-(3-fluorophenyl)-7-propan-2-yl-9-oxa-1-azaspiro[4.5]decan-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 110154785
2-(4-fluorophenyl)-4-[3-(1-methyl-1H-pyrazol-5-yl)propanoyl]morpholine
CID 118764829
1-(3,4-difluorophenyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 121559192
2-[4-[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carbonyl]piperazin-1-yl]-N-prop-2-ynylacetamide
CID 121564770

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide (CID 128966151) is (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide is CN(CC1CC1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide?
The InChIKey is ATNLEUMYFCBBLG-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(12-13-2-3-13)19(24)16-9-11-25-18(16)17-8-10-21-23(17)15-6-4-14(20)5-7-15/h4-8,10,13,16,18H,2-3,9,11-12H2,1H3/t16-,18-/m0/s1.
What are the key properties of (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide?
(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 128966151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).