N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C19H16N4O3 — CID 67305110

IUPACN-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCN(C(=O)c1[nH]nc2c1COc1ccccc1-2)c1ccccc1C(N)=O
InChIInChI=1S/C19H16N4O3/c1-23(14-8-4-2-6-11(14)18(20)24)19(25)17-13-10-26-15-9-5-3-7-12(15)16(13)21-22-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,22)
InChIKeyZUNVEWWEXMEZRO-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.34
Rot. Bonds3

About N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 67305110) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID67305110
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCN(C(=O)c1[nH]nc2c1COc1ccccc1-2)c1ccccc1C(N)=O
InChIInChI=1S/C19H16N4O3/c1-23(14-8-4-2-6-11(14)18(20)24)19(25)17-13-10-26-15-9-5-3-7-12(15)16(13)21-22-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,22)
InChIKeyZUNVEWWEXMEZRO-UHFFFAOYSA-N
XLogP2.34
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 67305110) is N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is CN(C(=O)c1[nH]nc2c1COc1ccccc1-2)c1ccccc1C(N)=O.
What is the InChIKey of N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZUNVEWWEXMEZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-23(14-8-4-2-6-11(14)18(20)24)19(25)17-13-10-26-15-9-5-3-7-12(15)16(13)21-22-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 67305110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).