4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

C19H24BrN5O3 — CID 142965512

IUPAC4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CCNC(=O)c2[nH]nc(NC(=O)c3ccccc3O)c2Br)CC1
InChIInChI=1S/C19H24BrN5O3/c1-25-10-7-12(8-11-25)6-9-21-19(28)16-15(20)17(24-23-16)22-18(27)13-4-2-3-5-14(13)26/h2-5,12,26H,6-11H2,1H3,(H,21,28)(H2,22,23,24,27)
InChIKeyHVUMHBSDVPDIIC-UHFFFAOYSA-N
MW450.34 g/mol
LogP2.59
Rot. Bonds6

About 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide

4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 142965512) has the molecular formula C19H24BrN5O3 and a molecular weight of 450.34 g/mol. Its IUPAC name is 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID142965512
Molecular FormulaC19H24BrN5O3
Molecular Weight450.34 g/mol
Exact Mass449.11
IUPAC Name4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(CCNC(=O)c2[nH]nc(NC(=O)c3ccccc3O)c2Br)CC1
InChIInChI=1S/C19H24BrN5O3/c1-25-10-7-12(8-11-25)6-9-21-19(28)16-15(20)17(24-23-16)22-18(27)13-4-2-3-5-14(13)26/h2-5,12,26H,6-11H2,1H3,(H,21,28)(H2,22,23,24,27)
InChIKeyHVUMHBSDVPDIIC-UHFFFAOYSA-N
XLogP2.59
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 142965512) is 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is CN1CCC(CCNC(=O)c2[nH]nc(NC(=O)c3ccccc3O)c2Br)CC1.
What is the InChIKey of 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HVUMHBSDVPDIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O3/c1-25-10-7-12(8-11-25)6-9-21-19(28)16-15(20)17(24-23-16)22-18(27)13-4-2-3-5-14(13)26/h2-5,12,26H,6-11H2,1H3,(H,21,28)(H2,22,23,24,27).
What are the key properties of 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 450.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-hydroxybenzoyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142965512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).