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

C17H27N3O — CID 79108378

IUPAC1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2ccn(C(CC)CC)n2)c1
InChIInChI=1S/C17H27N3O/c1-4-7-17(21)14-8-10-19(12-14)13-15-9-11-20(18-15)16(5-2)6-3/h8-12,16-17,21H,4-7,13H2,1-3H3
InChIKeyMECMDKAGSRMHNE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.93
Rot. Bonds8

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

1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol (PubChem CID 79108378) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
PubChem CID79108378
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(Cc2ccn(C(CC)CC)n2)c1
InChIInChI=1S/C17H27N3O/c1-4-7-17(21)14-8-10-19(12-14)13-15-9-11-20(18-15)16(5-2)6-3/h8-12,16-17,21H,4-7,13H2,1-3H3
InChIKeyMECMDKAGSRMHNE-UHFFFAOYSA-N
XLogP3.93
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79104672
1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
CID 64779775
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109233
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-ol
CID 82895596
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-(1-but-2-enylpyrrol-3-yl)butan-1-ol
CID 79109051
1-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]butan-1-ol
CID 79108886
1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-ol
CID 79109993
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109675
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105948
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108230

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol (CID 79108378) is 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(Cc2ccn(C(CC)CC)n2)c1.
What is the InChIKey of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol?
The InChIKey is MECMDKAGSRMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-7-17(21)14-8-10-19(12-14)13-15-9-11-20(18-15)16(5-2)6-3/h8-12,16-17,21H,4-7,13H2,1-3H3.
What are the key properties of 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol?
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79108378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).