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

C14H25N3O — CID 66059014

IUPAC[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCC(CC)n1ccc(CC2(CO)CCNC2)n1
InChIInChI=1S/C14H25N3O/c1-3-13(4-2)17-8-5-12(16-17)9-14(11-18)6-7-15-10-14/h5,8,13,15,18H,3-4,6-7,9-11H2,1-2H3
InChIKeyRAYDTGYBOSTGGD-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds6

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

[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66059014) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66059014
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCC(CC)n1ccc(CC2(CO)CCNC2)n1
InChIInChI=1S/C14H25N3O/c1-3-13(4-2)17-8-5-12(16-17)9-14(11-18)6-7-15-10-14/h5,8,13,15,18H,3-4,6-7,9-11H2,1-2H3
InChIKeyRAYDTGYBOSTGGD-UHFFFAOYSA-N
XLogP1.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

3-[(3-methylazetidin-3-yl)methyl]-1-pentan-3-ylpyrazole
CID 79451419
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64785449
1-(4-ethylpiperidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 116568161
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 64784476
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058384
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 65395111
2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 106873747
4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
CID 65079479
3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 116538402
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
2-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]ethanol
CID 64783656

Frequently Asked Questions

What is the IUPAC name of [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol (CID 66059014) is [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol is CCC(CC)n1ccc(CC2(CO)CCNC2)n1.
What is the InChIKey of [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is RAYDTGYBOSTGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-13(4-2)17-8-5-12(16-17)9-14(11-18)6-7-15-10-14/h5,8,13,15,18H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol?
[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66059014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).