(4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C21H25F2N3O2 — CID 145121230

IUPAC(4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(CCC1CC1)OC(=O)N1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C21H25F2N3O2/c1-21(2,8-7-14-3-4-14)28-20(27)25-9-10-26-19(13-25)17(12-24-26)16-6-5-15(22)11-18(16)23/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3
InChIKeyNDMZOXKYNWHISW-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.75
Rot. Bonds5

About (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

(4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 145121230) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID145121230
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name(4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(CCC1CC1)OC(=O)N1CCn2ncc(-c3ccc(F)cc3F)c2C1
InChIInChI=1S/C21H25F2N3O2/c1-21(2,8-7-14-3-4-14)28-20(27)25-9-10-26-19(13-25)17(12-24-26)16-6-5-15(22)11-18(16)23/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3
InChIKeyNDMZOXKYNWHISW-UHFFFAOYSA-N
XLogP4.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 89682719
1-[1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532977
2-(cyclopropylmethyl)-4-(ethoxymethyl)-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118739554
4-(cyclopropylmethoxymethyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 118744991
4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118746175
4-(cyclopropylmethoxymethyl)-6-[(2-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 118746177
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(3-phenyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 89682721
Tert-butyl 4-[6-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264016
Tert-butyl 4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264211
Tert-butyl 4-[6-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264373
Tert-butyl 4-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]piperidine-1-carboxylate
CID 138974176
Tert-butyl 3-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]azetidine-1-carboxylate
CID 154713308

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 145121230) is (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(CCC1CC1)OC(=O)N1CCn2ncc(-c3ccc(F)cc3F)c2C1.
What is the InChIKey of (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is NDMZOXKYNWHISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-21(2,8-7-14-3-4-14)28-20(27)25-9-10-26-19(13-25)17(12-24-26)16-6-5-15(22)11-18(16)23/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3.
What are the key properties of (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
(4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylbutan-2-yl) 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 145121230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).