ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H23N5O4 — CID 167847915

IUPACethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(CNCC3CC(O)CN3C)nc12
InChIInChI=1S/C16H23N5O4/c1-3-25-16(24)13-8-18-21-14(23)4-10(19-15(13)21)6-17-7-11-5-12(22)9-20(11)2/h4,8,11-12,17-18,22H,3,5-7,9H2,1-2H3
InChIKeyDTPXKECWVISJMT-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.65
Rot. Bonds6

About ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 167847915) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID167847915
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Nameethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(CNCC3CC(O)CN3C)nc12
InChIInChI=1S/C16H23N5O4/c1-3-25-16(24)13-8-18-21-14(23)4-10(19-15(13)21)6-17-7-11-5-12(22)9-20(11)2/h4,8,11-12,17-18,22H,3,5-7,9H2,1-2H3
InChIKeyDTPXKECWVISJMT-UHFFFAOYSA-N
XLogP-0.65
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 7-oxo-5-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 126824361
ethyl 5-[[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 167829818
ethyl 7-oxo-5-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55729356
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CID 110252122
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CID 166191888
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CID 90110858
ethyl 5-(1-ethylindazol-5-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 167847915) is ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c[nH]n2c(=O)cc(CNCC3CC(O)CN3C)nc12.
What is the InChIKey of ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is DTPXKECWVISJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-3-25-16(24)13-8-18-21-14(23)4-10(19-15(13)21)6-17-7-11-5-12(22)9-20(11)2/h4,8,11-12,17-18,22H,3,5-7,9H2,1-2H3.
What are the key properties of ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(4-hydroxy-1-methylpyrrolidin-2-yl)methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 167847915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).