2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C19H30F2N4O2 — CID 48652661

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H30F2N4O2/c1-14-16(15(2)25(23-14)18(20)21)12-17(26)22-13-19(6-4-3-5-7-19)24-8-10-27-11-9-24/h18H,3-13H2,1-2H3,(H,22,26)
InChIKeyWSSASTPGPIIULX-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.59
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 48652661) has the molecular formula C19H30F2N4O2 and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID48652661
Molecular FormulaC19H30F2N4O2
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H30F2N4O2/c1-14-16(15(2)25(23-14)18(20)21)12-17(26)22-13-19(6-4-3-5-7-19)24-8-10-27-11-9-24/h18H,3-13H2,1-2H3,(H,22,26)
InChIKeyWSSASTPGPIIULX-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 48652661) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is WSSASTPGPIIULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2N4O2/c1-14-16(15(2)25(23-14)18(20)21)12-17(26)22-13-19(6-4-3-5-7-19)24-8-10-27-11-9-24/h18H,3-13H2,1-2H3,(H,22,26).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 384.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 48652661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).