4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

C18H25N5O2 — CID 51084970

IUPAC4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(CN2CCN(C(=O)NCc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-2-25-17-5-3-15(4-6-17)14-22-9-11-23(12-10-22)18(24)19-13-16-7-8-20-21-16/h3-8H,2,9-14H2,1H3,(H,19,24)(H,20,21)
InChIKeyNPVKPCFLYMVUFN-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.84
Rot. Bonds6

About 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide

4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084970) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
PubChem CID51084970
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(CN2CCN(C(=O)NCc3ccn[nH]3)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-2-25-17-5-3-15(4-6-17)14-22-9-11-23(12-10-22)18(24)19-13-16-7-8-20-21-16/h3-8H,2,9-14H2,1H3,(H,19,24)(H,20,21)
InChIKeyNPVKPCFLYMVUFN-UHFFFAOYSA-N
XLogP1.84
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-ylmethyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084994
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
4-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide
CID 51084993
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
(3,6-dichloro-2-pyridinyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 34563260
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylethanone
CID 112803904

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide (CID 51084970) is 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is CCOc1ccc(CN2CCN(C(=O)NCc3ccn[nH]3)CC2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NPVKPCFLYMVUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-25-17-5-3-15(4-6-17)14-22-9-11-23(12-10-22)18(24)19-13-16-7-8-20-21-16/h3-8H,2,9-14H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide?
4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methyl]-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).