4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide

C18H25N5O — CID 84595208

IUPAC4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cccc(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22-7-9-23(10-8-22)18(24)19-12-15-5-4-6-16(11-15)17-13-20-21(2)14-17/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,19,24)
InChIKeyVPZSDFXQYKSECC-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.93
Rot. Bonds4

About 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide

4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 84595208) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID84595208
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cccc(-c3cnn(C)c3)c2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22-7-9-23(10-8-22)18(24)19-12-15-5-4-6-16(11-15)17-13-20-21(2)14-17/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,19,24)
InChIKeyVPZSDFXQYKSECC-UHFFFAOYSA-N
XLogP1.93
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide (CID 84595208) is 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NCc2cccc(-c3cnn(C)c3)c2)CC1.
What is the InChIKey of 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is VPZSDFXQYKSECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22-7-9-23(10-8-22)18(24)19-12-15-5-4-6-16(11-15)17-13-20-21(2)14-17/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,19,24).
What are the key properties of 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide?
4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 84595208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).