[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

C16H18N2O3 — CID 95040685

IUPAC[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OC[C@@H]1C[C@@H]1C
InChIInChI=1S/C16H18N2O3/c1-11-8-12(11)10-21-16(19)15-14(20-2)9-18(17-15)13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyGRBHUMAWAYQFFB-RYUDHWBXSA-N
MW286.33 g/mol
LogP2.69
Rot. Bonds5

About [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 95040685) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID95040685
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OC[C@@H]1C[C@@H]1C
InChIInChI=1S/C16H18N2O3/c1-11-8-12(11)10-21-16(19)15-14(20-2)9-18(17-15)13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyGRBHUMAWAYQFFB-RYUDHWBXSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523412
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644222
[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9380725
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7991964
[2-(4-chlorophenyl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703384
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644229
(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523414
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8724870

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 95040685) is [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OC[C@@H]1C[C@@H]1C.
What is the InChIKey of [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is GRBHUMAWAYQFFB-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-8-12(11)10-21-16(19)15-14(20-2)9-18(17-15)13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 95040685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).