4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide

C17H23N5O2 — CID 154737898

IUPAC4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccnn2C)CC1
InChIInChI=1S/C17H23N5O2/c1-3-24-15-7-5-4-6-14(15)21-10-12-22(13-11-21)17(23)19-16-8-9-18-20(16)2/h4-9H,3,10-13H2,1-2H3,(H,19,23)
InChIKeyNURJDXVUYHENGM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds4

About 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 154737898) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID154737898
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)Nc2ccnn2C)CC1
InChIInChI=1S/C17H23N5O2/c1-3-24-15-7-5-4-6-14(15)21-10-12-22(13-11-21)17(23)19-16-8-9-18-20(16)2/h4-9H,3,10-13H2,1-2H3,(H,19,23)
InChIKeyNURJDXVUYHENGM-UHFFFAOYSA-N
XLogP2.17
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
CID 108813826
4-(2-ethoxyphenyl)-N-(1-ethyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
CID 46990586
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide (CID 154737898) is 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)Nc2ccnn2C)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is NURJDXVUYHENGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-24-15-7-5-4-6-14(15)21-10-12-22(13-11-21)17(23)19-16-8-9-18-20(16)2/h4-9H,3,10-13H2,1-2H3,(H,19,23).
What are the key properties of 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 154737898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).