N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

C22H33N5O — CID 110303367

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCN1CCN(C(C)(C)CNC(=O)c2cc(-c3ccc(C)cc3)n(C)n2)CC1
InChIInChI=1S/C22H33N5O/c1-6-26-11-13-27(14-12-26)22(3,4)16-23-21(28)19-15-20(25(5)24-19)18-9-7-17(2)8-10-18/h7-10,15H,6,11-14,16H2,1-5H3,(H,23,28)
InChIKeyZYRFDLNZHSKANF-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 110303367) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID110303367
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCN1CCN(C(C)(C)CNC(=O)c2cc(-c3ccc(C)cc3)n(C)n2)CC1
InChIInChI=1S/C22H33N5O/c1-6-26-11-13-27(14-12-26)22(3,4)16-23-21(28)19-15-20(25(5)24-19)18-9-7-17(2)8-10-18/h7-10,15H,6,11-14,16H2,1-5H3,(H,23,28)
InChIKeyZYRFDLNZHSKANF-UHFFFAOYSA-N
XLogP2.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501
N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110615090
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-methylsulfonylbenzamide
CID 110312959
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110309064
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 110312211
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110302750
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (CID 110303367) is N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is CCN1CCN(C(C)(C)CNC(=O)c2cc(-c3ccc(C)cc3)n(C)n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is ZYRFDLNZHSKANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-6-26-11-13-27(14-12-26)22(3,4)16-23-21(28)19-15-20(25(5)24-19)18-9-7-17(2)8-10-18/h7-10,15H,6,11-14,16H2,1-5H3,(H,23,28).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110303367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).