ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate

C9H15N3O2 — CID 117219180

IUPACethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(N)cnn1C(C)C
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)8-7(10)5-11-12(8)6(2)3/h5-6H,4,10H2,1-3H3
InChIKeyMNNMOLLXUWURRT-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.22
Rot. Bonds3

About ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate

ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate (PubChem CID 117219180) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
PubChem CID117219180
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(N)cnn1C(C)C
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)8-7(10)5-11-12(8)6(2)3/h5-6H,4,10H2,1-3H3
InChIKeyMNNMOLLXUWURRT-UHFFFAOYSA-N
XLogP1.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219177
(3-hydroxyphenyl) 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219135
ethyl 4-bromo-1-[(2S)-butan-2-yl]pyrazole-5-carboxylate
CID 121300379
ethyl 3-amino-4-chloro-1-propan-2-ylpyrazole-5-carboxylate
CID 19619969
4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide
CID 117219054
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
ethyl 2-propan-2-yltriazole-4-carboxylate
CID 58356328
CID 174069750
CID 174069750
ethyl 1-butan-2-yl-5-chloropyrazole-4-carboxylate
CID 172748039
ethyl 3-methyl-4-nitro-1-propan-2-ylpyrazole-5-carboxylate
CID 135265179
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanone
CID 114639043

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate (CID 117219180) is ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate is CCOC(=O)c1c(N)cnn1C(C)C.
What is the InChIKey of ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate?
The InChIKey is MNNMOLLXUWURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-14-9(13)8-7(10)5-11-12(8)6(2)3/h5-6H,4,10H2,1-3H3.
What are the key properties of ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate?
ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 117219180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).