1-(1-methylpyrazol-3-yl)heptan-4-ol

C11H20N2O — CID 82872149

IUPAC1-(1-methylpyrazol-3-yl)heptan-4-ol
SMILESCCCC(O)CCCc1ccn(C)n1
InChIInChI=1S/C11H20N2O/c1-3-5-11(14)7-4-6-10-8-9-13(2)12-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyZDMRQPVMSSHTMU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.90
Rot. Bonds6

About 1-(1-methylpyrazol-3-yl)heptan-4-ol

1-(1-methylpyrazol-3-yl)heptan-4-ol (PubChem CID 82872149) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)heptan-4-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)heptan-4-ol
PubChem CID82872149
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-methylpyrazol-3-yl)heptan-4-ol
SMILESCCCC(O)CCCc1ccn(C)n1
InChIInChI=1S/C11H20N2O/c1-3-5-11(14)7-4-6-10-8-9-13(2)12-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyZDMRQPVMSSHTMU-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
CID 82870752
1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
CID 82870522
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
CID 82871623
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702
1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
CID 115334754
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
3-(4-chloro-3-methylbutyl)-1-methylpyrazole
CID 82870525

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)heptan-4-ol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)heptan-4-ol (CID 82872149) is 1-(1-methylpyrazol-3-yl)heptan-4-ol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)heptan-4-ol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)heptan-4-ol is CCCC(O)CCCc1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)heptan-4-ol?
The InChIKey is ZDMRQPVMSSHTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-11(14)7-4-6-10-8-9-13(2)12-10/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)heptan-4-ol?
1-(1-methylpyrazol-3-yl)heptan-4-ol has a molecular weight of 196.29 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)heptan-4-ol is sourced from PubChem (CID 82872149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).