4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol

C17H25N3O — CID 81319723

IUPAC4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
SMILESCC(C)CC(CO)NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H25N3O/c1-13(2)9-16(12-21)19-14(3)15-10-18-20(11-15)17-7-5-4-6-8-17/h4-8,10-11,13-14,16,19,21H,9,12H2,1-3H3
InChIKeyZMIMKMWVHWJOJC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.93
Rot. Bonds7

About 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol

4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol (PubChem CID 81319723) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
PubChem CID81319723
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol
SMILESCC(C)CC(CO)NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H25N3O/c1-13(2)9-16(12-21)19-14(3)15-10-18-20(11-15)17-7-5-4-6-8-17/h4-8,10-11,13-14,16,19,21H,9,12H2,1-3H3
InChIKeyZMIMKMWVHWJOJC-UHFFFAOYSA-N
XLogP2.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449
4-(1-chloro-3-methylbutyl)-1-phenylpyrazole
CID 61085631
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
N-[1-(1-phenylpyrazol-4-yl)ethyl]hex-1-yn-3-amine
CID 106227178
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol (CID 81319723) is 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol is CC(C)CC(CO)NC(C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol?
The InChIKey is ZMIMKMWVHWJOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)9-16(12-21)19-14(3)15-10-18-20(11-15)17-7-5-4-6-8-17/h4-8,10-11,13-14,16,19,21H,9,12H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol?
4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 81319723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).