4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol

C12H23N3O — CID 66108551

IUPAC4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCCn1nc(C)cc1CNCC(C)CCO
InChIInChI=1S/C12H23N3O/c1-4-15-12(7-11(3)14-15)9-13-8-10(2)5-6-16/h7,10,13,16H,4-6,8-9H2,1-3H3
InChIKeyCYCQNIVSIBMEOG-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.32
Rot. Bonds7

About 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol

4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 66108551) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
PubChem CID66108551
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
SMILESCCn1nc(C)cc1CNCC(C)CCO
InChIInChI=1S/C12H23N3O/c1-4-15-12(7-11(3)14-15)9-13-8-10(2)5-6-16/h7,10,13,16H,4-6,8-9H2,1-3H3
InChIKeyCYCQNIVSIBMEOG-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
3-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106190012
2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]ethyl carbamate
CID 83211703
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
4-[[2-(3,5-dimethylphenyl)triazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 110028537
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164718
(1S)-1-(4-bromophenyl)-N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 81358937

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol (CID 66108551) is 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol is CCn1nc(C)cc1CNCC(C)CCO.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is CYCQNIVSIBMEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-15-12(7-11(3)14-15)9-13-8-10(2)5-6-16/h7,10,13,16H,4-6,8-9H2,1-3H3.
What are the key properties of 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol?
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66108551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).