4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide

C16H25N7O — CID 128997371

IUPAC4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2ccnn2C)CC1c1nccn1C
InChIInChI=1S/C16H25N7O/c1-4-22-9-10-23(12-14(22)15-17-7-8-20(15)2)16(24)18-11-13-5-6-19-21(13)3/h5-8,14H,4,9-12H2,1-3H3,(H,18,24)
InChIKeyUIFCGIMKTJZDSH-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.74
Rot. Bonds4

About 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide

4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 128997371) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID128997371
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2ccnn2C)CC1c1nccn1C
InChIInChI=1S/C16H25N7O/c1-4-22-9-10-23(12-14(22)15-17-7-8-20(15)2)16(24)18-11-13-5-6-19-21(13)3/h5-8,14H,4,9-12H2,1-3H3,(H,18,24)
InChIKeyUIFCGIMKTJZDSH-UHFFFAOYSA-N
XLogP0.74
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide (CID 128997371) is 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NCc2ccnn2C)CC1c1nccn1C.
What is the InChIKey of 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is UIFCGIMKTJZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-4-22-9-10-23(12-14(22)15-17-7-8-20(15)2)16(24)18-11-13-5-6-19-21(13)3/h5-8,14H,4,9-12H2,1-3H3,(H,18,24).
What are the key properties of 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide?
4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-methylimidazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 128997371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).