N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C21H22N4O2 — CID 46981456

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2[nH]nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C21H22N4O2/c1-25(2)15-9-7-14(8-10-15)11-12-22-21(26)20-17-13-27-18-6-4-3-5-16(18)19(17)23-24-20/h3-10H,11-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyZGVFFLGDFVMADU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 46981456) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID46981456
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2[nH]nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C21H22N4O2/c1-25(2)15-9-7-14(8-10-15)11-12-22-21(26)20-17-13-27-18-6-4-3-5-16(18)19(17)23-24-20/h3-10H,11-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyZGVFFLGDFVMADU-UHFFFAOYSA-N
XLogP3.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954225
N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954237
N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 71802842
N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 91821763
N-(4-chlorophenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 67304559
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954207
N-(2-hydroxy-1-phenylethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 91820892
N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954219
N-(1-benzylpiperidin-4-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954218
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 50765544
N-(2-carbamoylphenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 67305110
N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 163092294

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 46981456) is N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is CN(C)c1ccc(CCNC(=O)c2[nH]nc3c2COc2ccccc2-3)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZGVFFLGDFVMADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(2)15-9-7-14(8-10-15)11-12-22-21(26)20-17-13-27-18-6-4-3-5-16(18)19(17)23-24-20/h3-10H,11-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 46981456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).