5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide

C19H19BrN4O3 — CID 108768353

IUPAC5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C19H19BrN4O3/c1-3-23(4-2)19(26)14-12-21-24(13-8-6-5-7-9-13)17(14)22-18(25)15-10-11-16(20)27-15/h5-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyDHPLICJHJAVTSU-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.96
Rot. Bonds6

About 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide

5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108768353) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
PubChem CID108768353
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC Name5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C19H19BrN4O3/c1-3-23(4-2)19(26)14-12-21-24(13-8-6-5-7-9-13)17(14)22-18(25)15-10-11-16(20)27-15/h5-12H,3-4H2,1-2H3,(H,22,25)
InChIKeyDHPLICJHJAVTSU-UHFFFAOYSA-N
XLogP3.96
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
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-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
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-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108778548

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide (CID 108768353) is 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DHPLICJHJAVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-3-23(4-2)19(26)14-12-21-24(13-8-6-5-7-9-13)17(14)22-18(25)15-10-11-16(20)27-15/h5-12H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108768353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).