N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

C17H27N3O2 — CID 146072632

IUPACN-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCn1nc(CCC(=O)NC2CCCCCC2)c2c1CCOC2
InChIInChI=1S/C17H27N3O2/c1-20-16-10-11-22-12-14(16)15(19-20)8-9-17(21)18-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,18,21)
InChIKeyBJGTURQLURIKKR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.26
Rot. Bonds4

About N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (PubChem CID 146072632) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
PubChem CID146072632
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCn1nc(CCC(=O)NC2CCCCCC2)c2c1CCOC2
InChIInChI=1S/C17H27N3O2/c1-20-16-10-11-22-12-14(16)15(19-20)8-9-17(21)18-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,18,21)
InChIKeyBJGTURQLURIKKR-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146071181
1-(azepan-1-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propan-1-one
CID 146071198
N-cyclohexyl-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017976
N-cycloheptyl-3-pyrrolidin-1-ylpropanamide
CID 110688180
3-(azepan-1-yl)-N-cyclohexylpropanamide
CID 109014005
N-cyclohexyl-3-pyrrolidin-1-ylpropanamide
CID 71029146
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072655
N-cyclopentyl-3-(1,3-oxazol-4-yl)propanamide
CID 110678952
N-cyclooctyl-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615758
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154579004
1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea
CID 90615777
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (CID 146072632) is N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is Cn1nc(CCC(=O)NC2CCCCCC2)c2c1CCOC2.
What is the InChIKey of N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The InChIKey is BJGTURQLURIKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20-16-10-11-22-12-14(16)15(19-20)8-9-17(21)18-13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H,18,21).
What are the key properties of N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 146072632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).