1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol

C15H23N3O — CID 79104672

IUPAC1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2ccn(C(C)CC)n2)c1
InChIInChI=1S/C15H23N3O/c1-4-12(3)18-9-7-14(16-18)11-17-8-6-13(10-17)15(19)5-2/h6-10,12,15,19H,4-5,11H2,1-3H3
InChIKeyBIICGXZQMFKVHN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds6

About 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol

1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79104672) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79104672
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2ccn(C(C)CC)n2)c1
InChIInChI=1S/C15H23N3O/c1-4-12(3)18-9-7-14(16-18)11-17-8-6-13(10-17)15(19)5-2/h6-10,12,15,19H,4-5,11H2,1-3H3
InChIKeyBIICGXZQMFKVHN-UHFFFAOYSA-N
XLogP3.15
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105948
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097208
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64778903
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108378
1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407696
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983158
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79109772
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105638

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79104672) is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(Cc2ccn(C(C)CC)n2)c1.
What is the InChIKey of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is BIICGXZQMFKVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-12(3)18-9-7-14(16-18)11-17-8-6-13(10-17)15(19)5-2/h6-10,12,15,19H,4-5,11H2,1-3H3.
What are the key properties of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol?
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79104672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).