ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride

C9H16ClN3O2 — CID 121293307

IUPACethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccnn1[C@@H](C)CN.Cl
InChIInChI=1S/C9H15N3O2.ClH/c1-3-14-9(13)8-4-5-11-12(8)7(2)6-10;/h4-5,7H,3,6,10H2,1-2H3;1H/t7-;/m0./s1
InChIKeyRHGYSQRKDIXRGA-FJXQXJEOSA-N
MW233.70 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride

ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride (PubChem CID 121293307) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride
PubChem CID121293307
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Nameethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccnn1[C@@H](C)CN.Cl
InChIInChI=1S/C9H15N3O2.ClH/c1-3-14-9(13)8-4-5-11-12(8)7(2)6-10;/h4-5,7H,3,6,10H2,1-2H3;1H/t7-;/m0./s1
InChIKeyRHGYSQRKDIXRGA-FJXQXJEOSA-N
XLogP1.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride (CID 121293307) is ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride is CCOC(=O)c1ccnn1[C@@H](C)CN.Cl.
What is the InChIKey of ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride?
The InChIKey is RHGYSQRKDIXRGA-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H15N3O2.ClH/c1-3-14-9(13)8-4-5-11-12(8)7(2)6-10;/h4-5,7H,3,6,10H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride?
ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 121293307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).