5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid

C10H9N3O3 — CID 117215982

IUPAC5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cccnc2)[nH]n1
InChIInChI=1S/C10H9N3O3/c14-10(15)9-4-7(12-13-9)6-16-8-2-1-3-11-5-8/h1-5H,6H2,(H,12,13)(H,14,15)
InChIKeyHZGVMXSATDCKSV-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.08
Rot. Bonds4

About 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid

5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 117215982) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
PubChem CID117215982
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cccnc2)[nH]n1
InChIInChI=1S/C10H9N3O3/c14-10(15)9-4-7(12-13-9)6-16-8-2-1-3-11-5-8/h1-5H,6H2,(H,12,13)(H,14,15)
InChIKeyHZGVMXSATDCKSV-UHFFFAOYSA-N
XLogP1.08
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 82092065
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
CID 70438795
2-iodo-4-(pyridin-3-yloxymethyl)benzoic acid
CID 23436563
N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95218567
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid
CID 117171587
5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093007

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid (CID 117215982) is 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(COc2cccnc2)[nH]n1.
What is the InChIKey of 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is HZGVMXSATDCKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-10(15)9-4-7(12-13-9)6-16-8-2-1-3-11-5-8/h1-5H,6H2,(H,12,13)(H,14,15).
What are the key properties of 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid?
5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 117215982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).