(1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate

C19H24N2O3 — CID 91485602

IUPAC(1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate
SMILESCCC(=O)Oc1cn(C2CCCCC2)nc1OCc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-2-18(22)24-17-13-21(16-11-7-4-8-12-16)20-19(17)23-14-15-9-5-3-6-10-15/h3,5-6,9-10,13,16H,2,4,7-8,11-12,14H2,1H3
InChIKeyCSRNUSOUTDKLSN-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.28
Rot. Bonds6

About (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate

(1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate (PubChem CID 91485602) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate.

Molecular Properties

Compound Name(1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate
PubChem CID91485602
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate
SMILESCCC(=O)Oc1cn(C2CCCCC2)nc1OCc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-2-18(22)24-17-13-21(16-11-7-4-8-12-16)20-19(17)23-14-15-9-5-3-6-10-15/h3,5-6,9-10,13,16H,2,4,7-8,11-12,14H2,1H3
InChIKeyCSRNUSOUTDKLSN-UHFFFAOYSA-N
XLogP4.28
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylmethoxypyrazole-4-carboxylic acid
CID 146445917
benzyl N-[3-(3-ethoxypropoxy)-1-(4-oxocyclohexyl)pyrazol-4-yl]carbamate
CID 146446353
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
CID 166472245
3-[(1-cyclobutyl-3-methylpyrazol-4-yl)oxymethyl]-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylic acid
CID 170340908
(5,6-dibenzylcyclopentadecyl) propanoate
CID 175150185
benzyl 2-(9-azabicyclo[3.3.1]nonan-9-yl)propanoate
CID 174258999
[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
benzyl 3-(1-cyclohexyltriazol-4-yl)prop-2-enoate
CID 174931249
1-(1-methylpyrrolidin-3-yl)-4-phenyl-3-phenylmethoxypyrazole
CID 67014219
benzyl propanoate;hydrochloride
CID 140986165
benzyl N-[1-(4-aminocyclohexyl)-3-(3-methoxypropoxy)pyrazol-4-yl]carbamate;hydrochloride
CID 146446084
[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol
CID 135230550

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The IUPAC name of (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate (CID 91485602) is (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate.
What is the SMILES notation for (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The canonical SMILES for (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate is CCC(=O)Oc1cn(C2CCCCC2)nc1OCc1ccccc1.
What is the InChIKey of (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The InChIKey is CSRNUSOUTDKLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-18(22)24-17-13-21(16-11-7-4-8-12-16)20-19(17)23-14-15-9-5-3-6-10-15/h3,5-6,9-10,13,16H,2,4,7-8,11-12,14H2,1H3.
What are the key properties of (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate?
(1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate has a molecular weight of 328.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-phenylmethoxypyrazol-4-yl) propanoate is sourced from PubChem (CID 91485602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).