5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid

C19H23N3O4 — CID 91766747

IUPAC5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CN2CCn3nc(C(O)C4CC4)cc3C2)cc1C(=O)O
InChIInChI=1S/C19H23N3O4/c1-26-17-5-2-12(8-15(17)19(24)25)10-21-6-7-22-14(11-21)9-16(20-22)18(23)13-3-4-13/h2,5,8-9,13,18,23H,3-4,6-7,10-11H2,1H3,(H,24,25)
InChIKeyKWTSDLIOTISUKA-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.05
Rot. Bonds6

About 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid

5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid (PubChem CID 91766747) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid
PubChem CID91766747
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CN2CCn3nc(C(O)C4CC4)cc3C2)cc1C(=O)O
InChIInChI=1S/C19H23N3O4/c1-26-17-5-2-12(8-15(17)19(24)25)10-21-6-7-22-14(11-21)9-16(20-22)18(23)13-3-4-13/h2,5,8-9,13,18,23H,3-4,6-7,10-11H2,1H3,(H,24,25)
InChIKeyKWTSDLIOTISUKA-UHFFFAOYSA-N
XLogP2.05
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90649770
5-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 99933001
4-[(3-carboxy-4-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 56718829
1-[5-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91793001
cyclopropyl-[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91780698
1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90648479
2-methoxy-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 65339609
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 65339321
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
4-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methoxybenzoic acid
CID 106793597
2-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 171385032
N-[[5-[(3-fluoro-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118772109

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid (CID 91766747) is 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid is COc1ccc(CN2CCn3nc(C(O)C4CC4)cc3C2)cc1C(=O)O.
What is the InChIKey of 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid?
The InChIKey is KWTSDLIOTISUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-26-17-5-2-12(8-15(17)19(24)25)10-21-6-7-22-14(11-21)9-16(20-22)18(23)13-3-4-13/h2,5,8-9,13,18,23H,3-4,6-7,10-11H2,1H3,(H,24,25).
What are the key properties of 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid?
5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 91766747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).