1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C24H29N5O2 — CID 78879060

IUPAC1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)cnn1Cc1ccccc1
InChIInChI=1S/C24H29N5O2/c1-3-22-21(15-27-29(22)17-19-7-5-4-6-8-19)24(30)26-14-20-9-10-23(25-13-20)28-11-12-31-18(2)16-28/h4-10,13,15,18H,3,11-12,14,16-17H2,1-2H3,(H,26,30)
InChIKeyDPZFPXOEBYGHDV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.04
Rot. Bonds7

About 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 78879060) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID78879060
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)cnn1Cc1ccccc1
InChIInChI=1S/C24H29N5O2/c1-3-22-21(15-27-29(22)17-19-7-5-4-6-8-19)24(30)26-14-20-9-10-23(25-13-20)28-11-12-31-18(2)16-28/h4-10,13,15,18H,3,11-12,14,16-17H2,1-2H3,(H,26,30)
InChIKeyDPZFPXOEBYGHDV-UHFFFAOYSA-N
XLogP3.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55779817
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
1-benzyl-5-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 78872062
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55725262
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55725117
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(sulfamoylmethyl)benzamide
CID 47085928
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51081215
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 78879060) is 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccc(N3CCOC(C)C3)nc2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is DPZFPXOEBYGHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-22-21(15-27-29(22)17-19-7-5-4-6-8-19)24(30)26-14-20-9-10-23(25-13-20)28-11-12-31-18(2)16-28/h4-10,13,15,18H,3,11-12,14,16-17H2,1-2H3,(H,26,30).
What are the key properties of 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78879060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).