4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

C18H23BrN4O2 — CID 56551902

IUPAC4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1Br
InChIInChI=1S/C18H23BrN4O2/c1-12-16(19)17(22-21-12)18(25)20-10-13-2-4-14(5-3-13)11-23-8-6-15(24)7-9-23/h2-5,15,24H,6-11H2,1H3,(H,20,25)(H,21,22)
InChIKeyFTNIYAOLASYJNZ-UHFFFAOYSA-N
MW407.31 g/mol
LogP2.37
Rot. Bonds5

About 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 56551902) has the molecular formula C18H23BrN4O2 and a molecular weight of 407.31 g/mol. Its IUPAC name is 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID56551902
Molecular FormulaC18H23BrN4O2
Molecular Weight407.31 g/mol
Exact Mass406.10
IUPAC Name4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1Br
InChIInChI=1S/C18H23BrN4O2/c1-12-16(19)17(22-21-12)18(25)20-10-13-2-4-14(5-3-13)11-23-8-6-15(24)7-9-23/h2-5,15,24H,6-11H2,1H3,(H,20,25)(H,21,22)
InChIKeyFTNIYAOLASYJNZ-UHFFFAOYSA-N
XLogP2.37
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 56551997
4-bromo-1-ethyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 56551808
4-bromo-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565345
4-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552141
2-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56551918
4-bromo-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564776
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide
CID 56552218
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56552121
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 126793113

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 56551902) is 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1Br.
What is the InChIKey of 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is FTNIYAOLASYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O2/c1-12-16(19)17(22-21-12)18(25)20-10-13-2-4-14(5-3-13)11-23-8-6-15(24)7-9-23/h2-5,15,24H,6-11H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 407.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56551902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).