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

C25H28ClN5O2 — CID 55725117

IUPAC1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)c2C2CC2)cc1Cl
InChIInChI=1S/C25H28ClN5O2/c1-16-3-7-20(11-22(16)26)31-24(19-5-6-19)21(14-29-31)25(32)28-13-18-4-8-23(27-12-18)30-9-10-33-17(2)15-30/h3-4,7-8,11-12,14,17,19H,5-6,9-10,13,15H2,1-2H3,(H,28,32)
InChIKeyRHTPFQYVDFICHD-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.26
Rot. Bonds6

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

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 55725117) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID55725117
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)c2C2CC2)cc1Cl
InChIInChI=1S/C25H28ClN5O2/c1-16-3-7-20(11-22(16)26)31-24(19-5-6-19)21(14-29-31)25(32)28-13-18-4-8-23(27-12-18)30-9-10-33-17(2)15-30/h3-4,7-8,11-12,14,17,19H,5-6,9-10,13,15H2,1-2H3,(H,28,32)
InChIKeyRHTPFQYVDFICHD-UHFFFAOYSA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-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-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55722244
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238
1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 78879060
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55722150
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 120656709
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
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55779817
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51081215

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 55725117) is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3ccc(N4CCOC(C)C4)nc3)c2C2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is RHTPFQYVDFICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-16-3-7-20(11-22(16)26)31-24(19-5-6-19)21(14-29-31)25(32)28-13-18-4-8-23(27-12-18)30-9-10-33-17(2)15-30/h3-4,7-8,11-12,14,17,19H,5-6,9-10,13,15H2,1-2H3,(H,28,32).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 465.99 g/mol, XLogP of 4.26, 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-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55725117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).