N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C26H31N5O2 — CID 17450137

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C26H31N5O2/c32-25(28-20-26(11-5-2-6-12-26)30-14-16-33-17-15-30)23-19-31(22-9-3-1-4-10-22)29-24(23)21-8-7-13-27-18-21/h1,3-4,7-10,13,18-19H,2,5-6,11-12,14-17,20H2,(H,28,32)
InChIKeyMCVJJOCEUVNVSH-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.70
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 17450137) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID17450137
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C26H31N5O2/c32-25(28-20-26(11-5-2-6-12-26)30-14-16-33-17-15-30)23-19-31(22-9-3-1-4-10-22)29-24(23)21-8-7-13-27-18-21/h1,3-4,7-10,13,18-19H,2,5-6,11-12,14-17,20H2,(H,28,32)
InChIKeyMCVJJOCEUVNVSH-UHFFFAOYSA-N
XLogP3.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
N-[(5-chlorothiophen-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 32829207
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17431965

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 17450137) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is MCVJJOCEUVNVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-25(28-20-26(11-5-2-6-12-26)30-14-16-33-17-15-30)23-19-31(22-9-3-1-4-10-22)29-24(23)21-8-7-13-27-18-21/h1,3-4,7-10,13,18-19H,2,5-6,11-12,14-17,20H2,(H,28,32).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 17450137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).