N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide

C24H29N5O2 — CID 78818674

IUPACN-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H29N5O2/c1-3-25-24(30)28-15-13-27(14-16-28)17-20-18-29(21-7-5-4-6-8-21)26-23(20)19-9-11-22(31-2)12-10-19/h4-12,18H,3,13-17H2,1-2H3,(H,25,30)
InChIKeyZPAYJPWYUZWFCF-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.39
Rot. Bonds6

About N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide

N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide (PubChem CID 78818674) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
PubChem CID78818674
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C24H29N5O2/c1-3-25-24(30)28-15-13-27(14-16-28)17-20-18-29(21-7-5-4-6-8-21)26-23(20)19-9-11-22(31-2)12-10-19/h4-12,18H,3,13-17H2,1-2H3,(H,25,30)
InChIKeyZPAYJPWYUZWFCF-UHFFFAOYSA-N
XLogP3.39
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
[1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773905
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 112832270
1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 45248945
N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119498729
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 55644258
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide (CID 78818674) is N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide?
The InChIKey is ZPAYJPWYUZWFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-25-24(30)28-15-13-27(14-16-28)17-20-18-29(21-7-5-4-6-8-21)26-23(20)19-9-11-22(31-2)12-10-19/h4-12,18H,3,13-17H2,1-2H3,(H,25,30).
What are the key properties of N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide?
N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 78818674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).