2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate

C23H34N4O3 — CID 108746086

IUPAC2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCCCC(CC)COC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C23H34N4O3/c1-5-9-13-18(6-2)17-30-23(29)25-21-20(22(28)26(7-3)8-4)16-24-27(21)19-14-11-10-12-15-19/h10-12,14-16,18H,5-9,13,17H2,1-4H3,(H,25,29)
InChIKeyYTIOQXJMENQLQT-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.12
Rot. Bonds11

About 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate

2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate (PubChem CID 108746086) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
PubChem CID108746086
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCCCC(CC)COC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C23H34N4O3/c1-5-9-13-18(6-2)17-30-23(29)25-21-20(22(28)26(7-3)8-4)16-24-27(21)19-14-11-10-12-15-19/h10-12,14-16,18H,5-9,13,17H2,1-4H3,(H,25,29)
InChIKeyYTIOQXJMENQLQT-UHFFFAOYSA-N
XLogP5.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768353

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate (CID 108746086) is 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate is CCCCC(CC)COC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1.
What is the InChIKey of 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is YTIOQXJMENQLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-5-9-13-18(6-2)17-30-23(29)25-21-20(22(28)26(7-3)8-4)16-24-27(21)19-14-11-10-12-15-19/h10-12,14-16,18H,5-9,13,17H2,1-4H3,(H,25,29).
What are the key properties of 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 414.55 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 108746086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).