(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

C11H16N4O2 — CID 95839704

IUPAC(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H16N4O2/c1-12-10(16)8-3-4-15(7-8)11(17)9-5-13-14(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyTWUVONAADYGXNV-QMMMGPOBSA-N
MW236.27 g/mol
LogP-0.37
Rot. Bonds2

About (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 95839704) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID95839704
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H16N4O2/c1-12-10(16)8-3-4-15(7-8)11(17)9-5-13-14(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyTWUVONAADYGXNV-QMMMGPOBSA-N
XLogP-0.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
N,4-dimethyl-1-(1-methylpyrazole-4-carbonyl)piperazine-2-carboxamide
CID 110250175
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91784718
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 128954239
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95824574
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (CID 95839704) is (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is TWUVONAADYGXNV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-10(16)8-3-4-15(7-8)11(17)9-5-13-14(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,16)/t8-/m0/s1.
What are the key properties of (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95839704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).