2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol

C11H20N2O — CID 64801344

IUPAC2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol
SMILESCC(CO)CCc1ccn(C(C)C)n1
InChIInChI=1S/C11H20N2O/c1-9(2)13-7-6-11(12-13)5-4-10(3)8-14/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyISOGHUZXYILWBO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.03
Rot. Bonds5

About 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol

2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol (PubChem CID 64801344) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol
PubChem CID64801344
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol
SMILESCC(CO)CCc1ccn(C(C)C)n1
InChIInChI=1S/C11H20N2O/c1-9(2)13-7-6-11(12-13)5-4-10(3)8-14/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyISOGHUZXYILWBO-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654
1-methoxy-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 64771323
2-(1-propan-2-ylpyrazol-3-yl)ethylhydrazine
CID 105220698
N-ethyl-2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-1-amine
CID 64777207
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
3-(4-bromo-3-methylbutyl)-1-butan-2-ylpyrazole
CID 64778961
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
1-cyclopropyl-N-ethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772039
1-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one
CID 64773472
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol (CID 64801344) is 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol is CC(CO)CCc1ccn(C(C)C)n1.
What is the InChIKey of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol?
The InChIKey is ISOGHUZXYILWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)13-7-6-11(12-13)5-4-10(3)8-14/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol?
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 64801344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).