4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide

C23H27N5O — CID 78818653

IUPAC4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C23H27N5O/c1-2-24-23(29)27-15-13-26(14-16-27)17-20-18-28(21-11-7-4-8-12-21)25-22(20)19-9-5-3-6-10-19/h3-12,18H,2,13-17H2,1H3,(H,24,29)
InChIKeyYWULZILGOZMXCE-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.39
Rot. Bonds5

About 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide

4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 78818653) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
PubChem CID78818653
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C23H27N5O/c1-2-24-23(29)27-15-13-26(14-16-27)17-20-18-28(21-11-7-4-8-12-21)25-22(20)19-9-5-3-6-10-19/h3-12,18H,2,13-17H2,1H3,(H,24,29)
InChIKeyYWULZILGOZMXCE-UHFFFAOYSA-N
XLogP3.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
CID 78818674
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 112832270
(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30636587
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
(1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8915264
(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9437025
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 27841140

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide (CID 78818653) is 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is YWULZILGOZMXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-24-23(29)27-15-13-26(14-16-27)17-20-18-28(21-11-7-4-8-12-21)25-22(20)19-9-5-3-6-10-19/h3-12,18H,2,13-17H2,1H3,(H,24,29).
What are the key properties of 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide?
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 78818653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).