N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide

C13H15BrN4O — CID 66121397

IUPACN-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ncccc2Br)n(CC)n1
InChIInChI=1S/C13H15BrN4O/c1-3-9-8-11(18(4-2)17-9)13(19)16-12-10(14)6-5-7-15-12/h5-8H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyYBEHHETWMPTQSY-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.88
Rot. Bonds4

About N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide

N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66121397) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66121397
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC NameN-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ncccc2Br)n(CC)n1
InChIInChI=1S/C13H15BrN4O/c1-3-9-8-11(18(4-2)17-9)13(19)16-12-10(14)6-5-7-15-12/h5-8H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyYBEHHETWMPTQSY-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 66120323
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122727
2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121377
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 113398236
N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
CID 66122725
N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 81315071
3-(3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
CID 79160439
(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
CID 105121799
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide (CID 66121397) is N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ncccc2Br)n(CC)n1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is YBEHHETWMPTQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-3-9-8-11(18(4-2)17-9)13(19)16-12-10(14)6-5-7-15-12/h5-8H,3-4H2,1-2H3,(H,15,16,19).
What are the key properties of N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide?
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).