1-butan-2-yl-3-propan-2-ylpyrazole

C10H18N2 — CID 66015540

IUPAC1-butan-2-yl-3-propan-2-ylpyrazole
SMILESCCC(C)n1ccc(C(C)C)n1
InChIInChI=1S/C10H18N2/c1-5-9(4)12-7-6-10(11-12)8(2)3/h6-9H,5H2,1-4H3
InChIKeySDSPLGSSHLEXNB-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.98
Rot. Bonds3

About 1-butan-2-yl-3-propan-2-ylpyrazole

1-butan-2-yl-3-propan-2-ylpyrazole (PubChem CID 66015540) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-butan-2-yl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-butan-2-yl-3-propan-2-ylpyrazole
PubChem CID66015540
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-butan-2-yl-3-propan-2-ylpyrazole
SMILESCCC(C)n1ccc(C(C)C)n1
InChIInChI=1S/C10H18N2/c1-5-9(4)12-7-6-10(11-12)8(2)3/h6-9H,5H2,1-4H3
InChIKeySDSPLGSSHLEXNB-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexan-2-yl-3-propan-2-ylpyrazole
CID 122705387
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
1-(difluoromethyl)-3-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrazole
CID 169237555
ethane;1-ethyl-3-propan-2-ylpyrazole
CID 143299826
3-(3-bromobutyl)-1-butan-2-ylpyrazole
CID 64779633
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-chlorobutan-2-amine
CID 65026559
(1-butan-2-ylpyrazol-3-yl)-dimethyl-methylsulfanyl-λ4-sulfane
CID 123136106
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
3-[2,2-bis(chloromethyl)pentyl]-1-butan-2-ylpyrazole
CID 79446937
3-(4-bromo-3-methylbutyl)-1-butan-2-ylpyrazole
CID 64778961
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-propan-2-ylpyrazole?
The IUPAC name of 1-butan-2-yl-3-propan-2-ylpyrazole (CID 66015540) is 1-butan-2-yl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-butan-2-yl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-butan-2-yl-3-propan-2-ylpyrazole is CCC(C)n1ccc(C(C)C)n1.
What is the InChIKey of 1-butan-2-yl-3-propan-2-ylpyrazole?
The InChIKey is SDSPLGSSHLEXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(4)12-7-6-10(11-12)8(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-propan-2-ylpyrazole?
1-butan-2-yl-3-propan-2-ylpyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-propan-2-ylpyrazole is sourced from PubChem (CID 66015540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).