N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

C15H25N3O2 — CID 146071181

IUPACN-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1nn(C)c2c1COCC2
InChIInChI=1S/C15H25N3O2/c1-5-15(2,3)16-14(19)7-6-12-11-10-20-9-8-13(11)18(4)17-12/h5-10H2,1-4H3,(H,16,19)
InChIKeyXUXSMJITOAEFTQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.73
Rot. Bonds5

About N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (PubChem CID 146071181) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
PubChem CID146071181
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1nn(C)c2c1COCC2
InChIInChI=1S/C15H25N3O2/c1-5-15(2,3)16-14(19)7-6-12-11-10-20-9-8-13(11)18(4)17-12/h5-10H2,1-4H3,(H,16,19)
InChIKeyXUXSMJITOAEFTQ-UHFFFAOYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (CID 146071181) is N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is CCC(C)(C)NC(=O)CCc1nn(C)c2c1COCC2.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The InChIKey is XUXSMJITOAEFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-15(2,3)16-14(19)7-6-12-11-10-20-9-8-13(11)18(4)17-12/h5-10H2,1-4H3,(H,16,19).
What are the key properties of N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 146071181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).