N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide

C18H23N5O2 — CID 136579947

IUPACN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCCN1CCN(C(=O)c2ccc(NC(=O)c3ccnn3C)cc2)CC1
InChIInChI=1S/C18H23N5O2/c1-3-22-10-12-23(13-11-22)18(25)14-4-6-15(7-5-14)20-17(24)16-8-9-19-21(16)2/h4-9H,3,10-13H2,1-2H3,(H,20,24)
InChIKeyXDDKLSGGTZJJTI-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.45
Rot. Bonds4

About N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide

N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 136579947) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID136579947
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCCN1CCN(C(=O)c2ccc(NC(=O)c3ccnn3C)cc2)CC1
InChIInChI=1S/C18H23N5O2/c1-3-22-10-12-23(13-11-22)18(25)14-4-6-15(7-5-14)20-17(24)16-8-9-19-21(16)2/h4-9H,3,10-13H2,1-2H3,(H,20,24)
InChIKeyXDDKLSGGTZJJTI-UHFFFAOYSA-N
XLogP1.45
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
CID 166199982
4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide (CID 136579947) is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide is CCN1CCN(C(=O)c2ccc(NC(=O)c3ccnn3C)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XDDKLSGGTZJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-22-10-12-23(13-11-22)18(25)14-4-6-15(7-5-14)20-17(24)16-8-9-19-21(16)2/h4-9H,3,10-13H2,1-2H3,(H,20,24).
What are the key properties of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide?
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136579947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).