ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate

C15H24N4O2 — CID 95214740

IUPACethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1CN1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C15H24N4O2/c1-2-21-14(20)13-12(8-17-18-13)9-19-7-3-4-15(11-19)5-6-16-10-15/h8,16H,2-7,9-11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyHVDHXQDIPJICGM-OAHLLOKOSA-N
MW292.38 g/mol
LogP1.16
Rot. Bonds4

About ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate

ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate (PubChem CID 95214740) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate
PubChem CID95214740
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1CN1CCC[C@]2(CCNC2)C1
InChIInChI=1S/C15H24N4O2/c1-2-21-14(20)13-12(8-17-18-13)9-19-7-3-4-15(11-19)5-6-16-10-15/h8,16H,2-7,9-11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyHVDHXQDIPJICGM-OAHLLOKOSA-N
XLogP1.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate (CID 95214740) is ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1CN1CCC[C@]2(CCNC2)C1.
What is the InChIKey of ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate?
The InChIKey is HVDHXQDIPJICGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-21-14(20)13-12(8-17-18-13)9-19-7-3-4-15(11-19)5-6-16-10-15/h8,16H,2-7,9-11H2,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate?
ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 95214740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).