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

C16H16F3N3O2 — CID 71808490

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)c2c1CCOC2
InChIInChI=1S/C16H16F3N3O2/c1-22-14-5-6-24-9-12(14)13(21-22)8-20-15(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,23)
InChIKeyYXPJFVCMWZSMSY-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.44
Rot. Bonds3

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

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 71808490) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID71808490
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)c2c1CCOC2
InChIInChI=1S/C16H16F3N3O2/c1-22-14-5-6-24-9-12(14)13(21-22)8-20-15(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,23)
InChIKeyYXPJFVCMWZSMSY-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (CID 71808490) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is Cn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YXPJFVCMWZSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-22-14-5-6-24-9-12(14)13(21-22)8-20-15(23)10-3-2-4-11(7-10)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,23).
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 339.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71808490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).