1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol

C15H29N3O2 — CID 107462805

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol
SMILESCCc1nn(C)cc1NCC(O)COCCCC(C)C
InChIInChI=1S/C15H29N3O2/c1-5-14-15(10-18(4)17-14)16-9-13(19)11-20-8-6-7-12(2)3/h10,12-13,16,19H,5-9,11H2,1-4H3
InChIKeyFFMMWXIVVIYMSQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.21
Rot. Bonds10

About 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol

1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol (PubChem CID 107462805) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol
PubChem CID107462805
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol
SMILESCCc1nn(C)cc1NCC(O)COCCCC(C)C
InChIInChI=1S/C15H29N3O2/c1-5-14-15(10-18(4)17-14)16-9-13(19)11-20-8-6-7-12(2)3/h10,12-13,16,19H,5-9,11H2,1-4H3
InChIKeyFFMMWXIVVIYMSQ-UHFFFAOYSA-N
XLogP2.21
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
CID 107462679
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900514
1-(2,4-dimethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902815
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 102805094
1-(4-bromo-2,3-dichloroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 107788923
1-(5-fluoro-2-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902028
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
1-(3-fluoro-5-methylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 79055009
1-(3,4-difluoroanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60898960

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol (CID 107462805) is 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol is CCc1nn(C)cc1NCC(O)COCCCC(C)C.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is FFMMWXIVVIYMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-14-15(10-18(4)17-14)16-9-13(19)11-20-8-6-7-12(2)3/h10,12-13,16,19H,5-9,11H2,1-4H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol?
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 107462805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).