methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate

C10H14N2O2 — CID 178084511

IUPACmethyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(C)cc1C1CC1
InChIInChI=1S/C10H14N2O2/c1-12-6-8(7-3-4-7)9(11-12)5-10(13)14-2/h6-7H,3-5H2,1-2H3
InChIKeyYGRCNOYRUDWCFT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.01
Rot. Bonds3

About methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate

methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate (PubChem CID 178084511) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate
PubChem CID178084511
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)Cc1nn(C)cc1C1CC1
InChIInChI=1S/C10H14N2O2/c1-12-6-8(7-3-4-7)9(11-12)5-10(13)14-2/h6-7H,3-5H2,1-2H3
InChIKeyYGRCNOYRUDWCFT-UHFFFAOYSA-N
XLogP1.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
1-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylicacid
CID 83414589
2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylic acid
CID 83875405
methyl 2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylate
CID 167723772
(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid
CID 67530460
2-[4-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propanoic acid
CID 67531308
Methyl 2-[4-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetate
CID 90772146
Methyl 2-[4-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetate
CID 91530366
Methyl 2-(1,3-dimethylpyrazol-4-yl)-3-fluoropentanoate
CID 163433069
Methyl 2-[4-(difluoromethyl)-1-methylpyrazol-5-yl]acetate
CID 165138682
Tert-butyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropane-1-carboxylate
CID 168180903

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate (CID 178084511) is methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate is COC(=O)Cc1nn(C)cc1C1CC1.
What is the InChIKey of methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
The InChIKey is YGRCNOYRUDWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-6-8(7-3-4-7)9(11-12)5-10(13)14-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate?
methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclopropyl-1-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 178084511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).