1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol

C13H25N3O — CID 79389742

IUPAC1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCc1cc(CN(CC)CC(C)(C)O)n(C)n1
InChIInChI=1S/C13H25N3O/c1-6-11-8-12(15(5)14-11)9-16(7-2)10-13(3,4)17/h8,17H,6-7,9-10H2,1-5H3
InChIKeyVNDOENXJAJLHSG-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.58
Rot. Bonds6

About 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 79389742) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
PubChem CID79389742
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCCc1cc(CN(CC)CC(C)(C)O)n(C)n1
InChIInChI=1S/C13H25N3O/c1-6-11-8-12(15(5)14-11)9-16(7-2)10-13(3,4)17/h8,17H,6-7,9-10H2,1-5H3
InChIKeyVNDOENXJAJLHSG-UHFFFAOYSA-N
XLogP1.58
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661679
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258433
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494848
1-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 79389441
N-(2-bromoethyl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487497
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylhex-5-en-2-ol
CID 104656253
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555024
methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536442
4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573647
1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389937
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol (CID 79389742) is 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol is CCc1cc(CN(CC)CC(C)(C)O)n(C)n1.
What is the InChIKey of 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is VNDOENXJAJLHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-11-8-12(15(5)14-11)9-16(7-2)10-13(3,4)17/h8,17H,6-7,9-10H2,1-5H3.
What are the key properties of 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).