1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid

C15H15N5O3 — CID 137487702

IUPAC1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CCCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C15H15N5O3/c21-15(22)11-8-18-20(10-11)6-1-7-23-12-2-3-13(16-9-12)14-4-5-17-19-14/h2-5,8-10H,1,6-7H2,(H,17,19)(H,21,22)
InChIKeyFEWIVDXXBIIKIV-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.84
Rot. Bonds7

About 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid

1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid (PubChem CID 137487702) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid
PubChem CID137487702
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CCCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C15H15N5O3/c21-15(22)11-8-18-20(10-11)6-1-7-23-12-2-3-13(16-9-12)14-4-5-17-19-14/h2-5,8-10H,1,6-7H2,(H,17,19)(H,21,22)
InChIKeyFEWIVDXXBIIKIV-UHFFFAOYSA-N
XLogP1.84
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
CID 142527040
1-[(3R)-3-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]ethanone
CID 155790767
2-methyl-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexa-1,3-dien-1-yl]propanoic acid
CID 148863071
4-phenoxy-1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butan-1-one
CID 155790747
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
CID 142526512
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526497
4-[(2R)-2-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]cyclohexyl]butan-2-one
CID 130360220
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
N-[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
CID 130360624
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
CID 137364365

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid (CID 137487702) is 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(CCCOc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid?
The InChIKey is FEWIVDXXBIIKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-15(22)11-8-18-20(10-11)6-1-7-23-12-2-3-13(16-9-12)14-4-5-17-19-14/h2-5,8-10H,1,6-7H2,(H,17,19)(H,21,22).
What are the key properties of 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid?
1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid has a molecular weight of 313.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 137487702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).