N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide

C19H26N4O2 — CID 108768330

IUPACN,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CC(C)C
InChIInChI=1S/C19H26N4O2/c1-5-22(6-2)19(25)16-13-20-23(15-10-8-7-9-11-15)18(16)21-17(24)12-14(3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,24)
InChIKeyWDWJXVPOCLYRBK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.34
Rot. Bonds7

About N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide (PubChem CID 108768330) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
PubChem CID108768330
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CC(C)C
InChIInChI=1S/C19H26N4O2/c1-5-22(6-2)19(25)16-13-20-23(15-10-8-7-9-11-15)18(16)21-17(24)12-14(3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,24)
InChIKeyWDWJXVPOCLYRBK-UHFFFAOYSA-N
XLogP3.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
ethyl 5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxylate
CID 4622223
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
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746120
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide (CID 108768330) is N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CC(C)C.
What is the InChIKey of N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide?
The InChIKey is WDWJXVPOCLYRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-22(6-2)19(25)16-13-20-23(15-10-8-7-9-11-15)18(16)21-17(24)12-14(3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,21,24).
What are the key properties of N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108768330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).