tert-butyl 3-amino-5-methylpyrazole-1-carboxylate

C9H15N3O2 — CID 11321537

IUPACtert-butyl 3-amino-5-methylpyrazole-1-carboxylate
SMILESCc1cc(N)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C9H15N3O2/c1-6-5-7(10)11-12(6)8(13)14-9(2,3)4/h5H,1-4H3,(H2,10,11)
InChIKeyGJDCNROAKOCYIQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.56
Rot. Bonds

About tert-butyl 3-amino-5-methylpyrazole-1-carboxylate

tert-butyl 3-amino-5-methylpyrazole-1-carboxylate (PubChem CID 11321537) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is tert-butyl 3-amino-5-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-5-methylpyrazole-1-carboxylate
PubChem CID11321537
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nametert-butyl 3-amino-5-methylpyrazole-1-carboxylate
SMILESCc1cc(N)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C9H15N3O2/c1-6-5-7(10)11-12(6)8(13)14-9(2,3)4/h5H,1-4H3,(H2,10,11)
InChIKeyGJDCNROAKOCYIQ-UHFFFAOYSA-N
XLogP1.56
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
t-Butyl 3-amino-5-(perfluoroethyl)-1h-pyrazole-1-carboxylate
CID 176453047
Tert-butyl 3-amino-5-(trifluoromethyl)pyrazole-1-carboxylate
CID 155753688
tert-butyl N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamate
CID 169179931
tert-butyl N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]carbamate
CID 177766172
tert-butyl 3-amino-5-cyclopropyl-1H-pyrazole-1-carboxylate
CID 11218347
Tert-butyl 5-methyl-3-[[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]carbamoylamino]pyrazole-1-carboxylate
CID 12073837
Ethyl 5-(dimethylsulfamoylamino)-3-methylpyrazole-1-carboxylate
CID 18339357
3-Amino-5-methylpyrazole-1-carboxylic acid
CID 21106532
3-Iodo-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester
CID 58110313
CID 59036875
CID 59036875
tert-Butyl 3-(bis(tert-butoxycarbonyl)amino)-5-methyl-1H-pyrazole-1-carboxylate
CID 59363918

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-methylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-5-methylpyrazole-1-carboxylate (CID 11321537) is tert-butyl 3-amino-5-methylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-5-methylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-5-methylpyrazole-1-carboxylate is Cc1cc(N)nn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-amino-5-methylpyrazole-1-carboxylate?
The InChIKey is GJDCNROAKOCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-5-7(10)11-12(6)8(13)14-9(2,3)4/h5H,1-4H3,(H2,10,11).
What are the key properties of tert-butyl 3-amino-5-methylpyrazole-1-carboxylate?
tert-butyl 3-amino-5-methylpyrazole-1-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-5-methylpyrazole-1-carboxylate is sourced from PubChem (CID 11321537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).