methanol;4-propan-2-yl-1-propylpyrazole

C10H20N2O — CID 164911743

IUPACmethanol;4-propan-2-yl-1-propylpyrazole
SMILESCCCn1cc(C(C)C)cn1.CO
InChIInChI=1S/C9H16N2.CH4O/c1-4-5-11-7-9(6-10-11)8(2)3;1-2/h6-8H,4-5H2,1-3H3;2H,1H3
InChIKeyYHPMSKYKQUYVSA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds3

About methanol;4-propan-2-yl-1-propylpyrazole

methanol;4-propan-2-yl-1-propylpyrazole (PubChem CID 164911743) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is methanol;4-propan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Namemethanol;4-propan-2-yl-1-propylpyrazole
PubChem CID164911743
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Namemethanol;4-propan-2-yl-1-propylpyrazole
SMILESCCCn1cc(C(C)C)cn1.CO
InChIInChI=1S/C9H16N2.CH4O/c1-4-5-11-7-9(6-10-11)8(2)3;1-2/h6-8H,4-5H2,1-3H3;2H,1H3
InChIKeyYHPMSKYKQUYVSA-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-1-propylpyrazole
CID 130194925
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine
CID 59186257
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
1-but-3-ynyl-4-propan-2-ylpyrazole
CID 88570779
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636

Frequently Asked Questions

What is the IUPAC name of methanol;4-propan-2-yl-1-propylpyrazole?
The IUPAC name of methanol;4-propan-2-yl-1-propylpyrazole (CID 164911743) is methanol;4-propan-2-yl-1-propylpyrazole.
What is the SMILES notation for methanol;4-propan-2-yl-1-propylpyrazole?
The canonical SMILES for methanol;4-propan-2-yl-1-propylpyrazole is CCCn1cc(C(C)C)cn1.CO.
What is the InChIKey of methanol;4-propan-2-yl-1-propylpyrazole?
The InChIKey is YHPMSKYKQUYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.CH4O/c1-4-5-11-7-9(6-10-11)8(2)3;1-2/h6-8H,4-5H2,1-3H3;2H,1H3.
What are the key properties of methanol;4-propan-2-yl-1-propylpyrazole?
methanol;4-propan-2-yl-1-propylpyrazole has a molecular weight of 184.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;4-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 164911743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).