4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

C10H14Br2N4O — CID 19508558

IUPAC4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c(Br)c2Br)CC1
InChIInChI=1S/C10H14Br2N4O/c1-16-4-2-6(3-5-16)13-10(17)8-7(11)9(12)15-14-8/h6H,2-5H2,1H3,(H,13,17)(H,14,15)
InChIKeyIIEDUTLSEULMHK-UHFFFAOYSA-N
MW366.06 g/mol
LogP1.76
Rot. Bonds2

About 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19508558) has the molecular formula C10H14Br2N4O and a molecular weight of 366.06 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID19508558
Molecular FormulaC10H14Br2N4O
Molecular Weight366.06 g/mol
Exact Mass363.95
IUPAC Name4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c(Br)c2Br)CC1
InChIInChI=1S/C10H14Br2N4O/c1-16-4-2-6(3-5-16)13-10(17)8-7(11)9(12)15-14-8/h6H,2-5H2,1H3,(H,13,17)(H,14,15)
InChIKeyIIEDUTLSEULMHK-UHFFFAOYSA-N
XLogP1.76
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.06
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 62075802
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 119452554
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
3-amino-5-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 43373723
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
4-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565279
4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 19508610
5-(3,5-difluorobenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914468
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (CID 19508558) is 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c(Br)c2Br)CC1.
What is the InChIKey of 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is IIEDUTLSEULMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N4O/c1-16-4-2-6(3-5-16)13-10(17)8-7(11)9(12)15-14-8/h6H,2-5H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 366.06 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).