N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide

C17H26N6O3 — CID 95723230

IUPACN-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1nc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)cc1C
InChIInChI=1S/C17H26N6O3/c1-12-9-13(20-23(12)11-15(24)18-2)16(25)22-8-5-19-10-14(22)17(26)21-6-3-4-7-21/h9,14,19H,3-8,10-11H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeyXGDSOKNJWOHBET-CQSZACIVSA-N
MW362.43 g/mol
LogP-1.03
Rot. Bonds4

About N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide

N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide (PubChem CID 95723230) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide
PubChem CID95723230
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC NameN-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1nc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)cc1C
InChIInChI=1S/C17H26N6O3/c1-12-9-13(20-23(12)11-15(24)18-2)16(25)22-8-5-19-10-14(22)17(26)21-6-3-4-7-21/h9,14,19H,3-8,10-11H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeyXGDSOKNJWOHBET-CQSZACIVSA-N
XLogP-1.03
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[2-[(dimethylamino)methyl]-1,3-thiazole-4-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95728739
[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95726530
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 56897637
[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56898451
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 56887679
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124958818
2-[3-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-5-methylpyrazol-1-yl]-N-methylacetamide
CID 95212571
6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95722562
[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95715274
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
CID 56911408

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide (CID 95723230) is N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide is CNC(=O)Cn1nc(C(=O)N2CCNC[C@@H]2C(=O)N2CCCC2)cc1C.
What is the InChIKey of N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide?
The InChIKey is XGDSOKNJWOHBET-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-12-9-13(20-23(12)11-15(24)18-2)16(25)22-8-5-19-10-14(22)17(26)21-6-3-4-7-21/h9,14,19H,3-8,10-11H2,1-2H3,(H,18,24)/t14-/m1/s1.
What are the key properties of N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide?
N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 95723230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).