ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate

C10H17N3O2 — CID 104523331

IUPACethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)(C)CN)c1
InChIInChI=1S/C10H17N3O2/c1-4-15-9(14)8-5-12-13(6-8)10(2,3)7-11/h5-6H,4,7,11H2,1-3H3
InChIKeyXNOYUDCQJKVBQN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.75
Rot. Bonds4

About ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate

ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate (PubChem CID 104523331) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate
PubChem CID104523331
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)(C)CN)c1
InChIInChI=1S/C10H17N3O2/c1-4-15-9(14)8-5-12-13(6-8)10(2,3)7-11/h5-6H,4,7,11H2,1-3H3
InChIKeyXNOYUDCQJKVBQN-UHFFFAOYSA-N
XLogP0.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-bromopyrazole-4-carboxylate
CID 139403370
ethyl 1-(4-amino-2,2-dimethylpentan-3-yl)pyrazole-4-carboxylate
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ethyl 1-(3-methoxy-3-methylbutyl)pyrazole-4-carboxylate
CID 103034259
ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylate
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CID 58127643
2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
CID 84732384
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
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ethyl 2-(1-tert-butylpyrazole-4-carbonyl)-3-methylbutanoate
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ethyl 1-[2-amino-1-(4-methylphenyl)ethyl]pyrazole-4-carboxylate
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2-methyl-2-(4-methylsulfonylpyrazol-1-yl)propan-1-amine
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1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate (CID 104523331) is ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(C)(C)CN)c1.
What is the InChIKey of ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate?
The InChIKey is XNOYUDCQJKVBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-9(14)8-5-12-13(6-8)10(2,3)7-11/h5-6H,4,7,11H2,1-3H3.
What are the key properties of ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate?
ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 104523331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).