1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C26H30ClN5O2 — CID 55722244

IUPAC1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)c2C2CC2)cc1Cl
InChIInChI=1S/C26H30ClN5O2/c1-16-4-8-21(10-23(16)27)32-25(20-6-7-20)22(13-30-32)26(33)29-12-19-5-9-24(28-11-19)31-14-17(2)34-18(3)15-31/h4-5,8-11,13,17-18,20H,6-7,12,14-15H2,1-3H3,(H,29,33)
InChIKeyIHFRUCJUXMVXBU-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.65
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 55722244) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID55722244
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)c2C2CC2)cc1Cl
InChIInChI=1S/C26H30ClN5O2/c1-16-4-8-21(10-23(16)27)32-25(20-6-7-20)22(13-30-32)26(33)29-12-19-5-9-24(28-11-19)31-14-17(2)34-18(3)15-31/h4-5,8-11,13,17-18,20H,6-7,12,14-15H2,1-3H3,(H,29,33)
InChIKeyIHFRUCJUXMVXBU-UHFFFAOYSA-N
XLogP4.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55725117
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46477269
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55722150
1-cyclohexyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55962247
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
N-(2-amino-2-ethylbutyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide;hydrochloride
CID 119642684
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55720282
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55710045
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55777031

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 55722244) is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4CC(C)OC(C)C4)nc3)c2C2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is IHFRUCJUXMVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-16-4-8-21(10-23(16)27)32-25(20-6-7-20)22(13-30-32)26(33)29-12-19-5-9-24(28-11-19)31-14-17(2)34-18(3)15-31/h4-5,8-11,13,17-18,20H,6-7,12,14-15H2,1-3H3,(H,29,33).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55722244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).