(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

C15H19N5O2 — CID 128988893

IUPAC(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1C(N)=O
InChIInChI=1S/C15H19N5O2/c1-10-8-20(9-12(10)13(16)21)15(22)11-7-17-18(2)14(11)19-5-3-4-6-19/h3-7,10,12H,8-9H2,1-2H3,(H2,16,21)/t10-,12-/m1/s1
InChIKeyODXNWKMCWOFALE-ZYHUDNBSSA-N
MW301.35 g/mol
LogP0.40
Rot. Bonds3

About (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 128988893) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID128988893
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1C(N)=O
InChIInChI=1S/C15H19N5O2/c1-10-8-20(9-12(10)13(16)21)15(22)11-7-17-18(2)14(11)19-5-3-4-6-19/h3-7,10,12H,8-9H2,1-2H3,(H2,16,21)/t10-,12-/m1/s1
InChIKeyODXNWKMCWOFALE-ZYHUDNBSSA-N
XLogP0.40
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 55178974
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355439
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 115875027
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 33369256
(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 58724571
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 128988827
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
(3S,4S)-4-methyl-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
CID 128984238
(3S,4S)-1-(2-chloro-4,5-dimethylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984109
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (CID 128988893) is (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is C[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is ODXNWKMCWOFALE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-8-20(9-12(10)13(16)21)15(22)11-7-17-18(2)14(11)19-5-3-4-6-19/h3-7,10,12H,8-9H2,1-2H3,(H2,16,21)/t10-,12-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 128988893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).