2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol

C10H18N2O — CID 164967779

IUPAC2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
SMILESCn1cc(CCCC(C)(C)O)cn1
InChIInChI=1S/C10H18N2O/c1-10(2,13)6-4-5-9-7-11-12(3)8-9/h7-8,13H,4-6H2,1-3H3
InChIKeyKLYTXCKDWCTZDJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.51
Rot. Bonds4

About 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol

2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol (PubChem CID 164967779) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
PubChem CID164967779
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
SMILESCn1cc(CCCC(C)(C)O)cn1
InChIInChI=1S/C10H18N2O/c1-10(2,13)6-4-5-9-7-11-12(3)8-9/h7-8,13H,4-6H2,1-3H3
InChIKeyKLYTXCKDWCTZDJ-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64505015
3-(1-methylpyrazol-4-yl)propan-1-amine
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4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
2-(4-iodophenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 114083180
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
2-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-enoic acid
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2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
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CID 70747441
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol?
The IUPAC name of 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol (CID 164967779) is 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol?
The canonical SMILES for 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol is Cn1cc(CCCC(C)(C)O)cn1.
What is the InChIKey of 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol?
The InChIKey is KLYTXCKDWCTZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,13)6-4-5-9-7-11-12(3)8-9/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol?
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 164967779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).