(2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide

C19H32N4O2 — CID 124846261

IUPAC(2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide
SMILESCO[C@H](C(=O)NC[C@@H]1CCCN1CC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C19H32N4O2/c1-22-14-16(11-21-22)18(25-2)19(24)20-12-17-9-6-10-23(17)13-15-7-4-3-5-8-15/h11,14-15,17-18H,3-10,12-13H2,1-2H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyINPCZPUXOYBCIB-ROUUACIJSA-N
MW348.49 g/mol
LogP2.27
Rot. Bonds7

About (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide

(2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 124846261) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID124846261
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide
SMILESCO[C@H](C(=O)NC[C@@H]1CCCN1CC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C19H32N4O2/c1-22-14-16(11-21-22)18(25-2)19(24)20-12-17-9-6-10-23(17)13-15-7-4-3-5-8-15/h11,14-15,17-18H,3-10,12-13H2,1-2H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyINPCZPUXOYBCIB-ROUUACIJSA-N
XLogP2.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 75441559
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506167
N-[[(2S)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
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N,N'-bis[[(2R)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-yl]methyl]oxamide
CID 166324317
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
2-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111794892
N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
CID 54152625
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289585
2-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111794891
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993172
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide (CID 124846261) is (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide is CO[C@H](C(=O)NC[C@@H]1CCCN1CC1CCCCC1)c1cnn(C)c1.
What is the InChIKey of (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is INPCZPUXOYBCIB-ROUUACIJSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-22-14-16(11-21-22)18(25-2)19(24)20-12-17-9-6-10-23(17)13-15-7-4-3-5-8-15/h11,14-15,17-18H,3-10,12-13H2,1-2H3,(H,20,24)/t17-,18-/m0/s1.
What are the key properties of (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide?
(2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-methoxy-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 124846261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).