N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C19H21N3O2 — CID 20954225

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C19H21N3O2/c23-19(20-11-10-13-6-2-1-3-7-13)18-15-12-24-16-9-5-4-8-14(16)17(15)21-22-18/h4-6,8-9H,1-3,7,10-12H2,(H,20,23)(H,21,22)
InChIKeyBZUXJUTZNYQOHI-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.59
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 20954225) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID20954225
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C19H21N3O2/c23-19(20-11-10-13-6-2-1-3-7-13)18-15-12-24-16-9-5-4-8-14(16)17(15)21-22-18/h4-6,8-9H,1-3,7,10-12H2,(H,20,23)(H,21,22)
InChIKeyBZUXJUTZNYQOHI-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 46981456
N-(3-piperidin-1-ylpropyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954247
N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 91821763
4-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63101773
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
2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(piperidin-1-yl)methanone
CID 166302472
N-(3-fluoro-4-methylphenyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954219
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 43021168
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392233
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831989
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689201

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 20954225) is N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is O=C(NCCC1=CCCCC1)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is BZUXJUTZNYQOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(20-11-10-13-6-2-1-3-7-13)18-15-12-24-16-9-5-4-8-14(16)17(15)21-22-18/h4-6,8-9H,1-3,7,10-12H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 20954225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).