4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C19H25BrN4O2 — CID 56564930

IUPAC4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1CN(c2ccc(NC(=O)c3n[nH]c(C(C)C)c3Br)cc2)CC(C)O1
InChIInChI=1S/C19H25BrN4O2/c1-11(2)17-16(20)18(23-22-17)19(25)21-14-5-7-15(8-6-14)24-9-12(3)26-13(4)10-24/h5-8,11-13H,9-10H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyAONYRUYHCIUTPV-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.16
Rot. Bonds4

About 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564930) has the molecular formula C19H25BrN4O2 and a molecular weight of 421.34 g/mol. Its IUPAC name is 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564930
Molecular FormulaC19H25BrN4O2
Molecular Weight421.34 g/mol
Exact Mass420.12
IUPAC Name4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1CN(c2ccc(NC(=O)c3n[nH]c(C(C)C)c3Br)cc2)CC(C)O1
InChIInChI=1S/C19H25BrN4O2/c1-11(2)17-16(20)18(23-22-17)19(25)21-14-5-7-15(8-6-14)24-9-12(3)26-13(4)10-24/h5-8,11-13H,9-10H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyAONYRUYHCIUTPV-UHFFFAOYSA-N
XLogP4.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566728
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
4-bromo-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562612
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2H-benzotriazole-5-carboxamide
CID 52512892
4-chloro-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-iodopyridine-2-carboxamide
CID 118407429
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
4-bromo-N-(3-chloro-4-thiomorpholin-4-ylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565762
4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583156
4-acetyl-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-pyrrole-2-carboxamide
CID 94799587
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(3-methoxypropyl)urea
CID 94336259
tert-butyl (2S)-2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]carbamoylamino]-3-methylbutanoate
CID 97225791
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564930) is 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC1CN(c2ccc(NC(=O)c3n[nH]c(C(C)C)c3Br)cc2)CC(C)O1.
What is the InChIKey of 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is AONYRUYHCIUTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O2/c1-11(2)17-16(20)18(23-22-17)19(25)21-14-5-7-15(8-6-14)24-9-12(3)26-13(4)10-24/h5-8,11-13H,9-10H2,1-4H3,(H,21,25)(H,22,23).
What are the key properties of 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 421.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).