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

C17H21N5O3 — CID 95131115

IUPAC(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(CC(N)=O)c2)cc1
InChIInChI=1S/C17H21N5O3/c1-25-14-6-4-12(5-7-14)15-3-2-8-22(15)17(24)20-13-9-19-21(10-13)11-16(18)23/h4-7,9-10,15H,2-3,8,11H2,1H3,(H2,18,23)(H,20,24)/t15-/m0/s1
InChIKeyYCQYARPZMYJUBZ-HNNXBMFYSA-N
MW343.39 g/mol
LogP1.75
Rot. Bonds5

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

(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 95131115) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID95131115
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(CC(N)=O)c2)cc1
InChIInChI=1S/C17H21N5O3/c1-25-14-6-4-12(5-7-14)15-3-2-8-22(15)17(24)20-13-9-19-21(10-13)11-16(18)23/h4-7,9-10,15H,2-3,8,11H2,1H3,(H2,18,23)(H,20,24)/t15-/m0/s1
InChIKeyYCQYARPZMYJUBZ-HNNXBMFYSA-N
XLogP1.75
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131116
2-(4-methoxyphenyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136511992
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 95131161
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 110248577
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 94589837
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94031902

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 95131115) is (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)Nc2cnn(CC(N)=O)c2)cc1.
What is the InChIKey of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YCQYARPZMYJUBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-25-14-6-4-12(5-7-14)15-3-2-8-22(15)17(24)20-13-9-19-21(10-13)11-16(18)23/h4-7,9-10,15H,2-3,8,11H2,1H3,(H2,18,23)(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95131115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).