N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide

C16H19N3O2 — CID 102556008

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC2COc3ccccc3C2)n[nH]1
InChIInChI=1S/C16H19N3O2/c1-2-13-8-14(19-18-13)16(20)17-9-11-7-12-5-3-4-6-15(12)21-10-11/h3-6,8,11H,2,7,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyQYURZSZLXOSWEC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.95
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 102556008) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID102556008
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC2COc3ccccc3C2)n[nH]1
InChIInChI=1S/C16H19N3O2/c1-2-13-8-14(19-18-13)16(20)17-9-11-7-12-5-3-4-6-15(12)21-10-11/h3-6,8,11H,2,7,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyQYURZSZLXOSWEC-UHFFFAOYSA-N
XLogP1.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 72915757
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CID 99779688
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29478544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47116194
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
4-chloro-5-cyclopropyl-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 75378792
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 97129298
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 102556008) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCC2COc3ccccc3C2)n[nH]1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is QYURZSZLXOSWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-13-8-14(19-18-13)16(20)17-9-11-7-12-5-3-4-6-15(12)21-10-11/h3-6,8,11H,2,7,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 102556008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).