1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid

C14H20N2O2 — CID 66026844

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C14H20N2O2/c17-13(18)14(7-8-14)10-11-6-9-16(15-11)12-4-2-1-3-5-12/h6,9,12H,1-5,7-8,10H2,(H,17,18)
InChIKeySODQXZJGILPZAZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.80
Rot. Bonds4

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid

1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 66026844) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID66026844
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C14H20N2O2/c17-13(18)14(7-8-14)10-11-6-9-16(15-11)12-4-2-1-3-5-12/h6,9,12H,1-5,7-8,10H2,(H,17,18)
InChIKeySODQXZJGILPZAZ-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64783654
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116550638
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
[3-[(1-cyclopentylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66057982
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
N-(cyclodecapentaenyl)-2-(1-cycloheptylpyrazol-3-yl)acetamide
CID 177025916
1-[1-(aminomethyl)cyclopentyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601079

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid (CID 66026844) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SODQXZJGILPZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13(18)14(7-8-14)10-11-6-9-16(15-11)12-4-2-1-3-5-12/h6,9,12H,1-5,7-8,10H2,(H,17,18).
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid?
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66026844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).