2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol

C10H18N2O — CID 82871623

IUPAC2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1ccn(C)n1
InChIInChI=1S/C10H18N2O/c1-3-4-9(8-13)7-10-5-6-12(2)11-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyKPAHAWZTQCOQNM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.37
Rot. Bonds5

About 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol

2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol (PubChem CID 82871623) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
PubChem CID82871623
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1ccn(C)n1
InChIInChI=1S/C10H18N2O/c1-3-4-9(8-13)7-10-5-6-12(2)11-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyKPAHAWZTQCOQNM-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82870709
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82871625
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294
1-(1-methylpyrazol-3-yl)heptan-4-ol
CID 82872149
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
2-bromo-1-(1-methylpyrazol-3-yl)hexan-3-one
CID 79786022
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
3-[2-(chloromethyl)-4-methylpentyl]-1-methylpyrazole
CID 82871627

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol (CID 82871623) is 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol is CCCC(CO)Cc1ccn(C)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol?
The InChIKey is KPAHAWZTQCOQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-9(8-13)7-10-5-6-12(2)11-10/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol?
2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol is sourced from PubChem (CID 82871623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).