methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate

C11H17N3O2 — CID 107344569

IUPACmethyl 4-amino-1-cyclohexylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C2CCCCC2)cc1N
InChIInChI=1S/C11H17N3O2/c1-16-11(15)10-9(12)7-14(13-10)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3
InChIKeyIXVNNDRIATVSSJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.76
Rot. Bonds2

About methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate

methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate (PubChem CID 107344569) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-cyclohexylpyrazole-3-carboxylate
PubChem CID107344569
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namemethyl 4-amino-1-cyclohexylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C2CCCCC2)cc1N
InChIInChI=1S/C11H17N3O2/c1-16-11(15)10-9(12)7-14(13-10)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3
InChIKeyIXVNNDRIATVSSJ-UHFFFAOYSA-N
XLogP1.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide
CID 132586496
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
CID 107344491
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
4-amino-1-piperidin-4-ylpyrazole-3-carboxamide
CID 171058867
ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
CID 23113343
4-amino-1-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 132586497
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
ethyl 4-amino-1-(2-oxoazepan-3-yl)pyrazole-3-carboxylate
CID 107345051
methyl 5-amino-4-cyclohexyl-1-ethylpyrazole-3-carboxylate
CID 165486036
2-(4-amino-3-methoxycarbonylpyrazol-1-yl)propanoic acid
CID 107344703

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate (CID 107344569) is methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate is COC(=O)c1nn(C2CCCCC2)cc1N.
What is the InChIKey of methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate?
The InChIKey is IXVNNDRIATVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11(15)10-9(12)7-14(13-10)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3.
What are the key properties of methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate?
methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate is sourced from PubChem (CID 107344569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).