N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide

C22H23N3O2 — CID 1223828

IUPACN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-14-18(15(2)25(4)23-14)13-24(3)22(26)21-16-9-5-7-11-19(16)27-20-12-8-6-10-17(20)21/h5-12,21H,13H2,1-4H3
InChIKeyQMMJBGXVWOAXFF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.93
Rot. Bonds3

About N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide

N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 1223828) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
PubChem CID1223828
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-14-18(15(2)25(4)23-14)13-24(3)22(26)21-16-9-5-7-11-19(16)27-20-12-8-6-10-17(20)21/h5-12,21H,13H2,1-4H3
InChIKeyQMMJBGXVWOAXFF-UHFFFAOYSA-N
XLogP3.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide (CID 1223828) is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is QMMJBGXVWOAXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-18(15(2)25(4)23-14)13-24(3)22(26)21-16-9-5-7-11-19(16)27-20-12-8-6-10-17(20)21/h5-12,21H,13H2,1-4H3.
What are the key properties of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1223828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).