[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol

C13H20N4O — CID 64778509

IUPAC[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol
SMILESCCC(CC)n1ccc(Cn2cc(CO)cn2)n1
InChIInChI=1S/C13H20N4O/c1-3-13(4-2)17-6-5-12(15-17)9-16-8-11(10-18)7-14-16/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyUSXGEVZNUFBKGP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.98
Rot. Bonds6

About [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol

[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol (PubChem CID 64778509) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol
PubChem CID64778509
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol
SMILESCCC(CC)n1ccc(Cn2cc(CO)cn2)n1
InChIInChI=1S/C13H20N4O/c1-3-13(4-2)17-6-5-12(15-17)9-16-8-11(10-18)7-14-16/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyUSXGEVZNUFBKGP-UHFFFAOYSA-N
XLogP1.98
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 64799954
N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine
CID 64777533
1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
CID 64779775
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64778903
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]ethanol
CID 64783656
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108378
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359509
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051

Frequently Asked Questions

What is the IUPAC name of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol (CID 64778509) is [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol is CCC(CC)n1ccc(Cn2cc(CO)cn2)n1.
What is the InChIKey of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol?
The InChIKey is USXGEVZNUFBKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-13(4-2)17-6-5-12(15-17)9-16-8-11(10-18)7-14-16/h5-8,13,18H,3-4,9-10H2,1-2H3.
What are the key properties of [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol?
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol has a molecular weight of 248.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 64778509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).