2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid

C12H18N2O2 — CID 105423374

IUPAC2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid
SMILESO=C(O)Cc1[nH]ncc1C1CCCCCC1
InChIInChI=1S/C12H18N2O2/c15-12(16)7-11-10(8-13-14-11)9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H,13,14)(H,15,16)
InChIKeyIIQCIBWDGSSNDO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid

2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid (PubChem CID 105423374) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid
PubChem CID105423374
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid
SMILESO=C(O)Cc1[nH]ncc1C1CCCCCC1
InChIInChI=1S/C12H18N2O2/c15-12(16)7-11-10(8-13-14-11)9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H,13,14)(H,15,16)
InChIKeyIIQCIBWDGSSNDO-UHFFFAOYSA-N
XLogP2.47
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclobutyl-1H-pyrazol-5-yl)acetic acid
CID 105422745
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
CID 166431958
4-cyclohexyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115039845
5-(carboxymethyl)-1H-pyrazole-4-carboxylic acid
CID 82598112
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-(3-cyclohexyl-4-hydroxyphenyl)acetic acid
CID 21199294
4-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 117127554
4-cyclohexyl-5-diethoxyphosphoryl-1H-pyrazole
CID 46189752
3-(5-cyclopentyl-1H-pyrazol-4-yl)propanamide
CID 121212041
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
2-(5-bromo-1H-pyrazol-4-yl)acetic acid
CID 83852159

Frequently Asked Questions

What is the IUPAC name of 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid?
The IUPAC name of 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid (CID 105423374) is 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid is O=C(O)Cc1[nH]ncc1C1CCCCCC1.
What is the InChIKey of 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid?
The InChIKey is IIQCIBWDGSSNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(16)7-11-10(8-13-14-11)9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid?
2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid has a molecular weight of 222.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid is sourced from PubChem (CID 105423374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).