ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate

C10H17N3O2 — CID 82673408

IUPACethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NCC(C)C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8-6-12-13-9(8)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyZMBPVWITOOTJDY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.65
Rot. Bonds5

About ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate

ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate (PubChem CID 82673408) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate
PubChem CID82673408
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NCC(C)C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8-6-12-13-9(8)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyZMBPVWITOOTJDY-UHFFFAOYSA-N
XLogP1.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate (CID 82673408) is ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1NCC(C)C.
What is the InChIKey of ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is ZMBPVWITOOTJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)8-6-12-13-9(8)11-5-7(2)3/h6-7H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate?
ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylpropylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 82673408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).