(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide

C18H24N4O2 — CID 94102282

IUPAC(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)Cn2cccn2)cc1
InChIInChI=1S/C18H24N4O2/c1-14(13-21-11-4-10-19-21)20-18(23)22-12-3-5-17(22)15-6-8-16(24-2)9-7-15/h4,6-11,14,17H,3,5,12-13H2,1-2H3,(H,20,23)/t14-,17-/m0/s1
InChIKeyPLIOJGXCBWPWLU-YOEHRIQHSA-N
MW328.42 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide

(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 94102282) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
PubChem CID94102282
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)Cn2cccn2)cc1
InChIInChI=1S/C18H24N4O2/c1-14(13-21-11-4-10-19-21)20-18(23)22-12-3-5-17(22)15-6-8-16(24-2)9-7-15/h4,6-11,14,17H,3,5,12-13H2,1-2H3,(H,20,23)/t14-,17-/m0/s1
InChIKeyPLIOJGXCBWPWLU-YOEHRIQHSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94031024
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
2-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 132968644
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902
4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 95126839
2-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)azepane-1-carboxamide
CID 112837697
(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124872162
2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60577976
(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
CID 94030721
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide (CID 94102282) is (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)Cn2cccn2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is PLIOJGXCBWPWLU-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(13-21-11-4-10-19-21)20-18(23)22-12-3-5-17(22)15-6-8-16(24-2)9-7-15/h4,6-11,14,17H,3,5,12-13H2,1-2H3,(H,20,23)/t14-,17-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide?
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94102282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).