5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide

C20H25N3O2 — CID 124614790

IUPAC5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)N[C@@H]2CCOc3ccccc32)c1C1CC1
InChIInChI=1S/C20H25N3O2/c1-13(2)12-23-19(14-7-8-14)16(11-21-23)20(24)22-17-9-10-25-18-6-4-3-5-15(17)18/h3-6,11,13-14,17H,7-10,12H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyWLLVAPULOICPEC-QGZVFWFLSA-N
MW339.44 g/mol
LogP3.67
Rot. Bonds5

About 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide

5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 124614790) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID124614790
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)N[C@@H]2CCOc3ccccc32)c1C1CC1
InChIInChI=1S/C20H25N3O2/c1-13(2)12-23-19(14-7-8-14)16(11-21-23)20(24)22-17-9-10-25-18-6-4-3-5-15(17)18/h3-6,11,13-14,17H,7-10,12H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyWLLVAPULOICPEC-QGZVFWFLSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
5-(difluoromethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042951
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042913
5-(difluoromethyl)-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042946
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;sulfane
CID 163923064
3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 120522827
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120523713
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
CID 8819779
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 124614790) is 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1ncc(C(=O)N[C@@H]2CCOc3ccccc32)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is WLLVAPULOICPEC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)12-23-19(14-7-8-14)16(11-21-23)20(24)22-17-9-10-25-18-6-4-3-5-15(17)18/h3-6,11,13-14,17H,7-10,12H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124614790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).