1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide

C26H31N5O3 — CID 112827176

IUPAC1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cnn1Cc1ccccc1
InChIInChI=1S/C26H31N5O3/c1-20-23(18-27-31(20)19-21-5-3-2-4-6-21)26(32)28-24-8-7-22(29-9-13-33-14-10-29)17-25(24)30-11-15-34-16-12-30/h2-8,17-18H,9-16,19H2,1H3,(H,28,32)
InChIKeyGDTLMKUVMIHSFM-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.17
Rot. Bonds6

About 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide

1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 112827176) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID112827176
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cnn1Cc1ccccc1
InChIInChI=1S/C26H31N5O3/c1-20-23(18-27-31(20)19-21-5-3-2-4-6-21)26(32)28-24-8-7-22(29-9-13-33-14-10-29)17-25(24)30-11-15-34-16-12-30/h2-8,17-18H,9-16,19H2,1H3,(H,28,32)
InChIKeyGDTLMKUVMIHSFM-UHFFFAOYSA-N
XLogP3.17
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
CID 86875192
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide
CID 86934393
1-tert-butyl-N-(2,4-dimorpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 112839574
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 51157406
N-(2,4-dimorpholin-4-ylphenyl)-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 112807335
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 24653710
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide (CID 112827176) is 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is GDTLMKUVMIHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-20-23(18-27-31(20)19-21-5-3-2-4-6-21)26(32)28-24-8-7-22(29-9-13-33-14-10-29)17-25(24)30-11-15-34-16-12-30/h2-8,17-18H,9-16,19H2,1H3,(H,28,32).
What are the key properties of 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide?
1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,4-dimorpholin-4-ylphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 112827176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).