4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

C17H23N5O2 — CID 51084991

IUPAC4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccn[nH]2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-24-16-6-4-3-5-15(16)21-9-11-22(12-10-21)17(23)18-13-14-7-8-19-20-14/h3-8H,2,9-13H2,1H3,(H,18,23)(H,19,20)
InChIKeyYSBNYDZZDPARGK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.84
Rot. Bonds5

About 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084991) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
PubChem CID51084991
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccn[nH]2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-24-16-6-4-3-5-15(16)21-9-11-22(12-10-21)17(23)18-13-14-7-8-19-20-14/h3-8H,2,9-13H2,1H3,(H,18,23)(H,19,20)
InChIKeyYSBNYDZZDPARGK-UHFFFAOYSA-N
XLogP1.84
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (CID 51084991) is 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCc2ccn[nH]2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The InChIKey is YSBNYDZZDPARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-24-16-6-4-3-5-15(16)21-9-11-22(12-10-21)17(23)18-13-14-7-8-19-20-14/h3-8H,2,9-13H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).