(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide

C12H20N4O2 — CID 128980203

IUPAC(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCCn2cccn2)N(C)C1
InChIInChI=1S/C12H20N4O2/c1-15-9-10(18-2)8-11(15)12(17)13-5-7-16-6-3-4-14-16/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,13,17)/t10-,11-/m0/s1
InChIKeyIYDWHEKBGDUBIO-QWRGUYRKSA-N
MW252.32 g/mol
LogP-0.28
Rot. Bonds5

About (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 128980203) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID128980203
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)NCCn2cccn2)N(C)C1
InChIInChI=1S/C12H20N4O2/c1-15-9-10(18-2)8-11(15)12(17)13-5-7-16-6-3-4-14-16/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,13,17)/t10-,11-/m0/s1
InChIKeyIYDWHEKBGDUBIO-QWRGUYRKSA-N
XLogP-0.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-methoxy-1-methyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128985002
(2S,4S)-4-methoxy-1-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128980218
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
CID 135105960
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
(2S,4S)-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 128980178
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
(2S,4S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128983915
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128975644
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide (CID 128980203) is (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)NCCn2cccn2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is IYDWHEKBGDUBIO-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-9-10(18-2)8-11(15)12(17)13-5-7-16-6-3-4-14-16/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,13,17)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 128980203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).