1-methyl-4-propylpyrazole;propane

C10H20N2 — CID 155742221

IUPAC1-methyl-4-propylpyrazole;propane
SMILESCCC.CCCc1cnn(C)c1
InChIInChI=1S/C7H12N2.C3H8/c1-3-4-7-5-8-9(2)6-7;1-3-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyCEKXBNKJTCMOEX-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.79
Rot. Bonds2

About 1-methyl-4-propylpyrazole;propane

1-methyl-4-propylpyrazole;propane (PubChem CID 155742221) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-4-propylpyrazole;propane.

Molecular Properties

Compound Name1-methyl-4-propylpyrazole;propane
PubChem CID155742221
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-4-propylpyrazole;propane
SMILESCCC.CCCc1cnn(C)c1
InChIInChI=1S/C7H12N2.C3H8/c1-3-4-7-5-8-9(2)6-7;1-3-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3
InChIKeyCEKXBNKJTCMOEX-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
ethane;4-ethyl-1-methylpyrazole
CID 143829284
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
4-(2-isocyanoethyl)-1-methylpyrazole
CID 83478886
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylpyrazole;propane?
The IUPAC name of 1-methyl-4-propylpyrazole;propane (CID 155742221) is 1-methyl-4-propylpyrazole;propane.
What is the SMILES notation for 1-methyl-4-propylpyrazole;propane?
The canonical SMILES for 1-methyl-4-propylpyrazole;propane is CCC.CCCc1cnn(C)c1.
What is the InChIKey of 1-methyl-4-propylpyrazole;propane?
The InChIKey is CEKXBNKJTCMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C3H8/c1-3-4-7-5-8-9(2)6-7;1-3-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-methyl-4-propylpyrazole;propane?
1-methyl-4-propylpyrazole;propane has a molecular weight of 168.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylpyrazole;propane is sourced from PubChem (CID 155742221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).