4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol

C13H24N4O2 — CID 114947756

IUPAC4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol
SMILESCCn1nc(C)c(N)c1N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2/c1-4-17-12(11(14)10(2)15-17)16(3)9-13(18)5-7-19-8-6-13/h18H,4-9,14H2,1-3H3
InChIKeyFGNBZHXFAMAVHI-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.77
Rot. Bonds4

About 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol

4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114947756) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114947756
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol
SMILESCCn1nc(C)c(N)c1N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2/c1-4-17-12(11(14)10(2)15-17)16(3)9-13(18)5-7-19-8-6-13/h18H,4-9,14H2,1-3H3
InChIKeyFGNBZHXFAMAVHI-UHFFFAOYSA-N
XLogP0.77
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114953005
4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol
CID 114950649
5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine
CID 66011650
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 66011883
4-[[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]methyl]oxan-4-ol
CID 81135030
6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 114952196
1-ethyl-5-N,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66012482
1-ethyl-5-N,3-dimethyl-5-N-(4-methylcyclohexyl)pyrazole-4,5-diamine
CID 66011851
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]-N-ethylacetamide
CID 66011861
1-ethyl-5-N-(4-ethylcyclohexyl)-5-N,3-dimethylpyrazole-4,5-diamine
CID 66013415

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol (CID 114947756) is 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol is CCn1nc(C)c(N)c1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is FGNBZHXFAMAVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-17-12(11(14)10(2)15-17)16(3)9-13(18)5-7-19-8-6-13/h18H,4-9,14H2,1-3H3.
What are the key properties of 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol?
4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 268.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114947756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).