methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C8H13N3O2 — CID 15836223

IUPACmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC
InChIInChI=1S/C8H13N3O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4,9H2,1-3H3
InChIKeyNKACTNNLKYBGGW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.58
Rot. Bonds2

About methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 15836223) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID15836223
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC
InChIInChI=1S/C8H13N3O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4,9H2,1-3H3
InChIKeyNKACTNNLKYBGGW-UHFFFAOYSA-N
XLogP0.58
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-formyl-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 22356652
methyl 4-amino-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 20715109
Methyl 1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 22167575
methyl 4-[(dipropylamino)diazenyl]-5-methyl-1H-pyrazole-3-carboxylate
CID 275988
methyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate
CID 2743727
Dimethyl 1-(2-cyanoethyl)-5-methyl-1H-pyrazole-3,4-dicarboxylate
CID 24208970
methyl 1-(2-aminoethyl)-5-methyl-1H-pyrazole-3-carboxylate dihydrochloride
CID 145867517
3-(4-amino-1,3-dimethyl-1H-pyrazole-5-carbonyloxy)propanoic acid hydrochloride
CID 165942127
Ethyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
CID 9855653
Ethyl 1-cyclopropyl-4-iodo-3-methyl-1H-pyrazole-5-carboxylate
CID 117702692
Methyl 4-amino-5-carbamoyl-1-[2-(3-fluoropropoxy)ethyl]pyrazole-3-carboxylate
CID 57799201
Methyl 4-amino-5-carbamoyl-1-[2-(2,2-difluoroethoxy)ethyl]pyrazole-3-carboxylate
CID 57799209

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 15836223) is methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OC.
What is the InChIKey of methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is NKACTNNLKYBGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-11-7(8(12)13-3)6(9)5(2)10-11/h4,9H2,1-3H3.
What are the key properties of methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.58, 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-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 15836223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).