(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C12H20N4O2 — CID 97384250

IUPAC(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](O)[C@@H]1Cc1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-14(2)12(18)16-5-4-11(17)10(16)6-9-7-13-15(3)8-9/h7-8,10-11,17H,4-6H2,1-3H3/t10-,11+/m0/s1
InChIKeyXDSOBTUFXJYEBC-WDEREUQCSA-N
MW252.32 g/mol
LogP0.08
Rot. Bonds2

About (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 97384250) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID97384250
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](O)[C@@H]1Cc1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-14(2)12(18)16-5-4-11(17)10(16)6-9-7-13-15(3)8-9/h7-8,10-11,17H,4-6H2,1-3H3/t10-,11+/m0/s1
InChIKeyXDSOBTUFXJYEBC-WDEREUQCSA-N
XLogP0.08
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97384246
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)pyrrolidin-3-ol
CID 97384247
cyclopent-3-en-1-yl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97392006
(2S,3S)-N-cyclopropyl-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97392012
cyclopentyl-[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97470254
[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 97470255
cyclobutyl-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97470658
(2R,3R)-3-ethoxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97470704
(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 127022820
(1-fluorocyclopropyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 131683196
(1-fluorocyclobutyl)-[(2S,3S)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 131683232
3-fluoro-1-[(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 131690229

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 97384250) is (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CN(C)C(=O)N1CC[C@@H](O)[C@@H]1Cc1cnn(C)c1.
What is the InChIKey of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XDSOBTUFXJYEBC-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-14(2)12(18)16-5-4-11(17)10(16)6-9-7-13-15(3)8-9/h7-8,10-11,17H,4-6H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97384250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).