[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

C20H25N5O — CID 74241965

IUPAC[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCc1cc(C)n(-c2cccc(CN3CCc4c(c(CO)nn4C)C3)c2)n1
InChIInChI=1S/C20H25N5O/c1-14-9-15(2)25(21-14)17-6-4-5-16(10-17)11-24-8-7-20-18(12-24)19(13-26)22-23(20)3/h4-6,9-10,26H,7-8,11-13H2,1-3H3
InChIKeyYRSCXYCIZFNJLQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.27
Rot. Bonds4

About [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol

[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 74241965) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID74241965
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESCc1cc(C)n(-c2cccc(CN3CCc4c(c(CO)nn4C)C3)c2)n1
InChIInChI=1S/C20H25N5O/c1-14-9-15(2)25(21-14)17-6-4-5-16(10-17)11-24-8-7-20-18(12-24)19(13-26)22-23(20)3/h4-6,9-10,26H,7-8,11-13H2,1-3H3
InChIKeyYRSCXYCIZFNJLQ-UHFFFAOYSA-N
XLogP2.27
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154565607
[1-methyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 74236966
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-methylsulfonyl-1,4-diazepane
CID 135094833
[1-methyl-5-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 77093768
[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 45230798
[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 26326398
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967098
[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72911179
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82478484
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
CID 144722920
3-[4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 50950605
1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine
CID 42871509

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 74241965) is [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is Cc1cc(C)n(-c2cccc(CN3CCc4c(c(CO)nn4C)C3)c2)n1.
What is the InChIKey of [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is YRSCXYCIZFNJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-9-15(2)25(21-14)17-6-4-5-16(10-17)11-24-8-7-20-18(12-24)19(13-26)22-23(20)3/h4-6,9-10,26H,7-8,11-13H2,1-3H3.
What are the key properties of [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol?
[5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 351.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 74241965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).