1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid

C14H14N2O3 — CID 172554828

IUPAC1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
SMILESCn1cc(Oc2ccc(C3(C(=O)O)CC3)cc2)cn1
InChIInChI=1S/C14H14N2O3/c1-16-9-12(8-15-16)19-11-4-2-10(3-5-11)14(6-7-14)13(17)18/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyMZTLIGLZXFRLLN-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid

1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid (PubChem CID 172554828) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
PubChem CID172554828
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
SMILESCn1cc(Oc2ccc(C3(C(=O)O)CC3)cc2)cn1
InChIInChI=1S/C14H14N2O3/c1-16-9-12(8-15-16)19-11-4-2-10(3-5-11)14(6-7-14)13(17)18/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyMZTLIGLZXFRLLN-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(dideuteriomethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 88598145
1-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 174895931
4-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 83619748
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116792884
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanone
CID 116792877
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793229
1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024143
1-[4-(2-hydroxyethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 117317655
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid
CID 116792564
1-[4-[4-[1-methyl-5-(methylamino)pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 144533815

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid (CID 172554828) is 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid is Cn1cc(Oc2ccc(C3(C(=O)O)CC3)cc2)cn1.
What is the InChIKey of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is MZTLIGLZXFRLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16-9-12(8-15-16)19-11-4-2-10(3-5-11)14(6-7-14)13(17)18/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 172554828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).