3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol

C10H19N3O — CID 64812615

IUPAC3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol
SMILESCCn1nc(C)c(C(N)CCO)c1C
InChIInChI=1S/C10H19N3O/c1-4-13-8(3)10(7(2)12-13)9(11)5-6-14/h9,14H,4-6,11H2,1-3H3
InChIKeyPIKBCQVZMRNJDR-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol

3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol (PubChem CID 64812615) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol
PubChem CID64812615
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol
SMILESCCn1nc(C)c(C(N)CCO)c1C
InChIInChI=1S/C10H19N3O/c1-4-13-8(3)10(7(2)12-13)9(11)5-6-14/h9,14H,4-6,11H2,1-3H3
InChIKeyPIKBCQVZMRNJDR-UHFFFAOYSA-N
XLogP0.90
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol (CID 64812615) is 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol is CCn1nc(C)c(C(N)CCO)c1C.
What is the InChIKey of 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is PIKBCQVZMRNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-13-8(3)10(7(2)12-13)9(11)5-6-14/h9,14H,4-6,11H2,1-3H3.
What are the key properties of 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol?
3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 64812615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).