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

C14H24ClN3O2 — CID 114953005

IUPAC4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCCn1nc(C)c(Cl)c1CN(C)CC1(O)CCOCC1
InChIInChI=1S/C14H24ClN3O2/c1-4-18-12(13(15)11(2)16-18)9-17(3)10-14(19)5-7-20-8-6-14/h19H,4-10H2,1-3H3
InChIKeyWJVIOEZZYFRSGW-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.84
Rot. Bonds5

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

4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114953005) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114953005
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCCn1nc(C)c(Cl)c1CN(C)CC1(O)CCOCC1
InChIInChI=1S/C14H24ClN3O2/c1-4-18-12(13(15)11(2)16-18)9-17(3)10-14(19)5-7-20-8-6-14/h19H,4-10H2,1-3H3
InChIKeyWJVIOEZZYFRSGW-UHFFFAOYSA-N
XLogP1.84
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952590
4-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-methylamino]methyl]oxan-4-ol
CID 114947756
5-[[4-(bromomethyl)oxan-4-yl]methyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66051062
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methyloxan-4-amine
CID 113491072
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081888
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
CID 114952758
5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
CID 107205022
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764431
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol (CID 114953005) is 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol is CCn1nc(C)c(Cl)c1CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is WJVIOEZZYFRSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-4-18-12(13(15)11(2)16-18)9-17(3)10-14(19)5-7-20-8-6-14/h19H,4-10H2,1-3H3.
What are the key properties of 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 301.82 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114953005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).