(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C15H27N5O — CID 99628750

IUPAC(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)N1CC[C@@H](CN(C)C)C1
InChIInChI=1S/C15H27N5O/c1-5-14-13(11-19(4)17-14)8-16-15(21)20-7-6-12(10-20)9-18(2)3/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m0/s1
InChIKeyYKDYIENQOFGUGO-LBPRGKRZSA-N
MW293.42 g/mol
LogP1.08
Rot. Bonds5

About (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 99628750) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID99628750
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)N1CC[C@@H](CN(C)C)C1
InChIInChI=1S/C15H27N5O/c1-5-14-13(11-19(4)17-14)8-16-15(21)20-7-6-12(10-20)9-18(2)3/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m0/s1
InChIKeyYKDYIENQOFGUGO-LBPRGKRZSA-N
XLogP1.08
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

3-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 126806353
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 125143066
1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 115991089
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
CID 97099166
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688886
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 112549377
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115885459

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 99628750) is (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CCc1nn(C)cc1CNC(=O)N1CC[C@@H](CN(C)C)C1.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is YKDYIENQOFGUGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-14-13(11-19(4)17-14)8-16-15(21)20-7-6-12(10-20)9-18(2)3/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99628750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).