N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide

C19H23N3O2 — CID 56794881

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccccc2)c1)C1C2CCOC2C1(C)C
InChIInChI=1S/C19H23N3O2/c1-19(2)16(15-9-10-24-17(15)19)21(3)18(23)13-11-20-22(12-13)14-7-5-4-6-8-14/h4-8,11-12,15-17H,9-10H2,1-3H3
InChIKeyQELHMOYIGADMQD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.76
Rot. Bonds3

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 56794881) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID56794881
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccccc2)c1)C1C2CCOC2C1(C)C
InChIInChI=1S/C19H23N3O2/c1-19(2)16(15-9-10-24-17(15)19)21(3)18(23)13-11-20-22(12-13)14-7-5-4-6-8-14/h4-8,11-12,15-17H,9-10H2,1-3H3
InChIKeyQELHMOYIGADMQD-UHFFFAOYSA-N
XLogP2.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide (CID 56794881) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ccccc2)c1)C1C2CCOC2C1(C)C.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is QELHMOYIGADMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2)16(15-9-10-24-17(15)19)21(3)18(23)13-11-20-22(12-13)14-7-5-4-6-8-14/h4-8,11-12,15-17H,9-10H2,1-3H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 56794881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).