N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide

C20H25N3O3 — CID 146073461

IUPACN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1nn(CC2CC2)c2c1COCC2
InChIInChI=1S/C20H25N3O3/c24-20(14-26-16-4-2-1-3-5-16)21-10-8-18-17-13-25-11-9-19(17)23(22-18)12-15-6-7-15/h1-5,15H,6-14H2,(H,21,24)
InChIKeyNIEYZKXUQUJBKJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.10
Rot. Bonds8

About N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide

N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide (PubChem CID 146073461) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide
PubChem CID146073461
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1nn(CC2CC2)c2c1COCC2
InChIInChI=1S/C20H25N3O3/c24-20(14-26-16-4-2-1-3-5-16)21-10-8-18-17-13-25-11-9-19(17)23(22-18)12-15-6-7-15/h1-5,15H,6-14H2,(H,21,24)
InChIKeyNIEYZKXUQUJBKJ-UHFFFAOYSA-N
XLogP2.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
CID 90615534
N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide
CID 146073424
N-[2-[7-(cyclohexylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-2-phenoxyacetamide
CID 26352956
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
1-(cyclopropylmethyl)-5-(2-phenoxyacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26230003
N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide
CID 154579102
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154579004
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide
CID 110401241
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38554360

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide (CID 146073461) is N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1nn(CC2CC2)c2c1COCC2.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is NIEYZKXUQUJBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-20(14-26-16-4-2-1-3-5-16)21-10-8-18-17-13-25-11-9-19(17)23(22-18)12-15-6-7-15/h1-5,15H,6-14H2,(H,21,24).
What are the key properties of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide?
N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 355.44 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 146073461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).