4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol

C15H28N4O2 — CID 114950649

IUPAC4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol
SMILESCCNCc1c(C)nn(C)c1N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H28N4O2/c1-5-16-10-13-12(2)17-19(4)14(13)18(3)11-15(20)6-8-21-9-7-15/h16,20H,5-11H2,1-4H3
InChIKeyRKKSFTLLQZZZAK-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.82
Rot. Bonds6

About 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol

4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol (PubChem CID 114950649) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol
PubChem CID114950649
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol
SMILESCCNCc1c(C)nn(C)c1N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H28N4O2/c1-5-16-10-13-12(2)17-19(4)14(13)18(3)11-15(20)6-8-21-9-7-15/h16,20H,5-11H2,1-4H3
InChIKeyRKKSFTLLQZZZAK-UHFFFAOYSA-N
XLogP0.82
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol (CID 114950649) is 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol is CCNCc1c(C)nn(C)c1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol?
The InChIKey is RKKSFTLLQZZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-16-10-13-12(2)17-19(4)14(13)18(3)11-15(20)6-8-21-9-7-15/h16,20H,5-11H2,1-4H3.
What are the key properties of 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol?
4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol has a molecular weight of 296.42 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114950649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).