(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide

C12H20N4O2 — CID 111507028

IUPAC(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@H]1CO)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-9(10-6-13-15(2)7-10)14-12(18)16-5-3-4-11(16)8-17/h6-7,9,11,17H,3-5,8H2,1-2H3,(H,14,18)/t9?,11-/m0/s1
InChIKeyIJSFOHGRYUEYSK-UMJHXOGRSA-N
MW252.32 g/mol
LogP0.65
Rot. Bonds3

About (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 111507028) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID111507028
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@H]1CO)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-9(10-6-13-15(2)7-10)14-12(18)16-5-3-4-11(16)8-17/h6-7,9,11,17H,3-5,8H2,1-2H3,(H,14,18)/t9?,11-/m0/s1
InChIKeyIJSFOHGRYUEYSK-UMJHXOGRSA-N
XLogP0.65
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-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

(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97384250
(2S)-N-(1-ethylpyrazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 53595536
(3S)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 124294587
2-(2-hydroxyethyl)-N-[1-(4-methylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 132307285
(3S,4R)-N-(2-fluoro-2-methylpropyl)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 138019925
1-(hydroxymethyl)-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 138025105
[(2S,4S)-1-[2-(1-ethylpyrazol-4-yl)ethyl]-4-fluoropyrrolidin-2-yl]methanol
CID 154745426
3-hydroxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155949827
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 51084749
3-[2-(1-Methylpyrazol-4-yl)ethyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 71892886
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47128068
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 47236983

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide (CID 111507028) is (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC[C@H]1CO)c1cnn(C)c1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is IJSFOHGRYUEYSK-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(10-6-13-15(2)7-10)14-12(18)16-5-3-4-11(16)8-17/h6-7,9,11,17H,3-5,8H2,1-2H3,(H,14,18)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111507028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).