3-ethyl-1-methylpyrazole;propane

C9H18N2 — CID 170573719

IUPAC3-ethyl-1-methylpyrazole;propane
SMILESCCC.CCc1ccn(C)n1
InChIInChI=1S/C6H10N2.C3H8/c1-3-6-4-5-8(2)7-6;1-3-2/h4-5H,3H2,1-2H3;3H2,1-2H3
InChIKeySIIDZZVRTLDHLY-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.40
Rot. Bonds1

About 3-ethyl-1-methylpyrazole;propane

3-ethyl-1-methylpyrazole;propane (PubChem CID 170573719) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazole;propane.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazole;propane
PubChem CID170573719
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-ethyl-1-methylpyrazole;propane
SMILESCCC.CCc1ccn(C)n1
InChIInChI=1S/C6H10N2.C3H8/c1-3-6-4-5-8(2)7-6;1-3-2/h4-5H,3H2,1-2H3;3H2,1-2H3
InChIKeySIIDZZVRTLDHLY-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-5-bromopyridin-3-ol;3-ethyl-1-methylpyrazole
CID 164859709
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302
3-(butoxymethyl)-1-methylpyrazole
CID 122170488
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butanoic acid
CID 82869291
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrazole;propane?
The IUPAC name of 3-ethyl-1-methylpyrazole;propane (CID 170573719) is 3-ethyl-1-methylpyrazole;propane.
What is the SMILES notation for 3-ethyl-1-methylpyrazole;propane?
The canonical SMILES for 3-ethyl-1-methylpyrazole;propane is CCC.CCc1ccn(C)n1.
What is the InChIKey of 3-ethyl-1-methylpyrazole;propane?
The InChIKey is SIIDZZVRTLDHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C3H8/c1-3-6-4-5-8(2)7-6;1-3-2/h4-5H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpyrazole;propane?
3-ethyl-1-methylpyrazole;propane has a molecular weight of 154.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrazole;propane is sourced from PubChem (CID 170573719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).