N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide

C19H17N3O2 — CID 3236180

IUPACN-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
SMILESCn1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)cn1
InChIInChI=1S/C19H17N3O2/c1-22-12-13(11-21-22)10-20-19(23)18-14-6-2-4-8-16(14)24-17-9-5-3-7-15(17)18/h2-9,11-12,18H,10H2,1H3,(H,20,23)
InChIKeyZGMXHKPNDDOFKP-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.97
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 3236180) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
PubChem CID3236180
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide
SMILESCn1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)cn1
InChIInChI=1S/C19H17N3O2/c1-22-12-13(11-21-22)10-20-19(23)18-14-6-2-4-8-16(14)24-17-9-5-3-7-15(17)18/h2-9,11-12,18H,10H2,1H3,(H,20,23)
InChIKeyZGMXHKPNDDOFKP-UHFFFAOYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide (CID 3236180) is N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide is Cn1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is ZGMXHKPNDDOFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22-12-13(11-21-22)10-20-19(23)18-14-6-2-4-8-16(14)24-17-9-5-3-7-15(17)18/h2-9,11-12,18H,10H2,1H3,(H,20,23).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 3236180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).