N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide

C19H16N4O3 — CID 71941459

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1
InChIInChI=1S/C19H16N4O3/c20-17(24)11-23-10-12(9-21-23)22-19(25)18-13-5-1-3-7-15(13)26-16-8-4-2-6-14(16)18/h1-10,18H,11H2,(H2,20,24)(H,22,25)
InChIKeyBSZFGYMFYSJOBV-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.24
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide (PubChem CID 71941459) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide
PubChem CID71941459
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1
InChIInChI=1S/C19H16N4O3/c20-17(24)11-23-10-12(9-21-23)22-19(25)18-13-5-1-3-7-15(13)26-16-8-4-2-6-14(16)18/h1-10,18H,11H2,(H2,20,24)(H,22,25)
InChIKeyBSZFGYMFYSJOBV-UHFFFAOYSA-N
XLogP2.24
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
2-[4-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95151390
(3S,4S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-benzyl-4-methylpyrrolidine-3-carboxamide
CID 128980173
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47889480
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
CID 39992452
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
N-(4-propan-2-ylphenyl)-9H-xanthene-9-carboxamide
CID 743802
N-[4-(cyanomethyl)phenyl]-9H-xanthene-9-carboxamide
CID 9193770
N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide
CID 112773465
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-oxopiperidine-3-carboxamide
CID 112731492

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide (CID 71941459) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide is NC(=O)Cn1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide?
The InChIKey is BSZFGYMFYSJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-17(24)11-23-10-12(9-21-23)22-19(25)18-13-5-1-3-7-15(13)26-16-8-4-2-6-14(16)18/h1-10,18H,11H2,(H2,20,24)(H,22,25).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71941459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).