4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide

C17H21BrN4O2 — CID 998824

IUPAC4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cccc(CN3CCOCC3)c2)c1Br
InChIInChI=1S/C17H21BrN4O2/c1-12-15(18)16(21(2)20-12)17(23)19-14-5-3-4-13(10-14)11-22-6-8-24-9-7-22/h3-5,10H,6-9,11H2,1-2H3,(H,19,23)
InChIKeySBAZCPOCLGKSJQ-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.58
Rot. Bonds4

About 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide

4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide (PubChem CID 998824) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
PubChem CID998824
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cccc(CN3CCOCC3)c2)c1Br
InChIInChI=1S/C17H21BrN4O2/c1-12-15(18)16(21(2)20-12)17(23)19-14-5-3-4-13(10-14)11-22-6-8-24-9-7-22/h3-5,10H,6-9,11H2,1-2H3,(H,19,23)
InChIKeySBAZCPOCLGKSJQ-UHFFFAOYSA-N
XLogP2.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477537
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512734
2-(3-methylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19516890
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19525218
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 19480353
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-[3-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 47776622
2-(4-bromopyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 19537582
methyl 2-ethyl-4-methyl-5-[[3-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 47793381
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide (CID 998824) is 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2cccc(CN3CCOCC3)c2)c1Br.
What is the InChIKey of 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is SBAZCPOCLGKSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-12-15(18)16(21(2)20-12)17(23)19-14-5-3-4-13(10-14)11-22-6-8-24-9-7-22/h3-5,10H,6-9,11H2,1-2H3,(H,19,23).
What are the key properties of 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide?
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 998824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).