1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide

C22H31N5O3 — CID 112839574

IUPAC1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cn1
InChIInChI=1S/C22H31N5O3/c1-22(2,3)27-16-17(15-23-27)21(28)24-19-5-4-18(25-6-10-29-11-7-25)14-20(19)26-8-12-30-13-9-26/h4-5,14-16H,6-13H2,1-3H3,(H,24,28)
InChIKeyRHWRWYUJWWOXOT-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.56
Rot. Bonds4

About 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide

1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide (PubChem CID 112839574) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
PubChem CID112839574
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cn1
InChIInChI=1S/C22H31N5O3/c1-22(2,3)27-16-17(15-23-27)21(28)24-19-5-4-18(25-6-10-29-11-7-25)14-20(19)26-8-12-30-13-9-26/h4-5,14-16H,6-13H2,1-3H3,(H,24,28)
InChIKeyRHWRWYUJWWOXOT-UHFFFAOYSA-N
XLogP2.56
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25333039
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
4-chloro-N-(2,4-dimorpholin-4-ylphenyl)-3-nitrobenzamide
CID 4824096
N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 24653710
N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-1H-pyrrole-2-carboxamide
CID 167806321
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
CID 50881563

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide (CID 112839574) is 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cn1.
What is the InChIKey of 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is RHWRWYUJWWOXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-22(2,3)27-16-17(15-23-27)21(28)24-19-5-4-18(25-6-10-29-11-7-25)14-20(19)26-8-12-30-13-9-26/h4-5,14-16H,6-13H2,1-3H3,(H,24,28).
What are the key properties of 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide?
1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112839574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).