1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide

C19H22FN3O2 — CID 124721271

IUPAC1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2c3cccc(F)c3O[C@H]2C)cnn1C1CCCC1
InChIInChI=1S/C19H22FN3O2/c1-11-15(10-21-23(11)13-6-3-4-7-13)19(24)22-17-12(2)25-18-14(17)8-5-9-16(18)20/h5,8-10,12-13,17H,3-4,6-7H2,1-2H3,(H,22,24)/t12-,17+/m0/s1
InChIKeyAAXZLNPAYLSYOF-YVEFUNNKSA-N
MW343.40 g/mol
LogP3.70
Rot. Bonds3

About 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 124721271) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide
PubChem CID124721271
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2c3cccc(F)c3O[C@H]2C)cnn1C1CCCC1
InChIInChI=1S/C19H22FN3O2/c1-11-15(10-21-23(11)13-6-3-4-7-13)19(24)22-17-12(2)25-18-14(17)8-5-9-16(18)20/h5,8-10,12-13,17H,3-4,6-7H2,1-2H3,(H,22,24)/t12-,17+/m0/s1
InChIKeyAAXZLNPAYLSYOF-YVEFUNNKSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide (CID 124721271) is 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@H]2c3cccc(F)c3O[C@H]2C)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is AAXZLNPAYLSYOF-YVEFUNNKSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-11-15(10-21-23(11)13-6-3-4-7-13)19(24)22-17-12(2)25-18-14(17)8-5-9-16(18)20/h5,8-10,12-13,17H,3-4,6-7H2,1-2H3,(H,22,24)/t12-,17+/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 124721271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).