3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid

C14H14N2O3 — CID 115111288

IUPAC3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOC1(c2ccc(-c3cc(C(=O)O)[nH]n3)cc2)CC1
InChIInChI=1S/C14H14N2O3/c1-19-14(6-7-14)10-4-2-9(3-5-10)11-8-12(13(17)18)16-15-11/h2-5,8H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJFPASOBMWIGNGY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.41
Rot. Bonds4

About 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid

3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 115111288) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID115111288
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOC1(c2ccc(-c3cc(C(=O)O)[nH]n3)cc2)CC1
InChIInChI=1S/C14H14N2O3/c1-19-14(6-7-14)10-4-2-9(3-5-10)11-8-12(13(17)18)16-15-11/h2-5,8H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJFPASOBMWIGNGY-UHFFFAOYSA-N
XLogP2.41
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117478941
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117399119
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014
3-[4-(1-methylazetidin-3-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117396305
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117367670
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111319
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 115111288) is 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid is COC1(c2ccc(-c3cc(C(=O)O)[nH]n3)cc2)CC1.
What is the InChIKey of 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is JFPASOBMWIGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-14(6-7-14)10-4-2-9(3-5-10)11-8-12(13(17)18)16-15-11/h2-5,8H,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid?
3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115111288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).