2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

C25H31N5O — CID 66889875

IUPAC2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)cc1C(=O)NC(C)C
InChIInChI=1S/C25H31N5O/c1-17(2)26-25(31)22-15-20(6-5-18(22)3)24-16-23(27-28-24)19-7-9-21(10-8-19)30-13-11-29(4)12-14-30/h5-10,15-17H,11-14H2,1-4H3,(H,26,31)(H,27,28)
InChIKeyPICIVPSKFZFOAN-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.94
Rot. Bonds5

About 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 66889875) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID66889875
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)cc1C(=O)NC(C)C
InChIInChI=1S/C25H31N5O/c1-17(2)26-25(31)22-15-20(6-5-18(22)3)24-16-23(27-28-24)19-7-9-21(10-8-19)30-13-11-29(4)12-14-30/h5-10,15-17H,11-14H2,1-4H3,(H,26,31)(H,27,28)
InChIKeyPICIVPSKFZFOAN-UHFFFAOYSA-N
XLogP3.94
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-(oxan-4-yl)benzamide
CID 66898425
3-[5-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
CID 66893760
1-methyl-4-[4-[3-(3-phenylphenyl)-1H-pyrazol-5-yl]phenyl]piperazine
CID 175397594
6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid
CID 66889608
2-[[hydroxy-[3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]phenyl]methyl]amino]propan-1-ol
CID 123865065
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116022
1-[4-[3-[3-(fluoromethyl)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
CID 153409891
1-[4-[3-[3-(fluoromethoxy)phenyl]-1H-pyrazol-5-yl]phenyl]-4-methylpiperazine
CID 153409935
5-[4-[1-[[2-methyl-5-(4-methylpiperazin-1-yl)benzoyl]amino]ethyl]naphthalen-2-yl]-1H-pyrrole-3-carboxylic acid
CID 171792234
ethane;5-(4-pyrrolidin-1-ylphenyl)-3-[3-[5-(4-pyrrolidin-1-ylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 144833651
N'-[4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]phenyl]-N-(2-phenylethyl)butanediamide
CID 11706503
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-[3-(piperidine-1-carbonyl)phenyl]phenyl]ethyl]benzamide
CID 165115986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (CID 66889875) is 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is Cc1ccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)cc1C(=O)NC(C)C.
What is the InChIKey of 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is PICIVPSKFZFOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-17(2)26-25(31)22-15-20(6-5-18(22)3)24-16-23(27-28-24)19-7-9-21(10-8-19)30-13-11-29(4)12-14-30/h5-10,15-17H,11-14H2,1-4H3,(H,26,31)(H,27,28).
What are the key properties of 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 417.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 66889875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).