[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C21H26N6O — CID 56757941

IUPAC[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)n[nH]2)n1
InChIInChI=1S/C21H26N6O/c1-15-11-16(2)27(24-15)13-18-12-19(23-22-18)21(28)26-10-9-25(3)14-20(26)17-7-5-4-6-8-17/h4-8,11-12,20H,9-10,13-14H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyWNPRIZDLGJKUAT-HXUWFJFHSA-N
MW378.48 g/mol
LogP2.40
Rot. Bonds4

About [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 56757941) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID56757941
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)n[nH]2)n1
InChIInChI=1S/C21H26N6O/c1-15-11-16(2)27(24-15)13-18-12-19(23-22-18)21(28)26-10-9-25(3)14-20(26)17-7-5-4-6-8-17/h4-8,11-12,20H,9-10,13-14H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyWNPRIZDLGJKUAT-HXUWFJFHSA-N
XLogP2.40
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]-1-phenylpiperazin-2-one
CID 56744775
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 42098177
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333698
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(3R)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95202402
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2S)-4-methyl-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]-2-phenylpiperazine-1-carboxamide
CID 118769189
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 45213629
ethyl (3R)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 42529647
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 51266707
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 92589714

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 56757941) is [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is Cc1cc(C)n(Cc2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)n[nH]2)n1.
What is the InChIKey of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is WNPRIZDLGJKUAT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-11-16(2)27(24-15)13-18-12-19(23-22-18)21(28)26-10-9-25(3)14-20(26)17-7-5-4-6-8-17/h4-8,11-12,20H,9-10,13-14H2,1-3H3,(H,22,23)/t20-/m1/s1.
What are the key properties of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 378.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 56757941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).