1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine

C11H21N3 — CID 66439934

IUPAC1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCCCn1ncc(CNC)c1CC
InChIInChI=1S/C11H21N3/c1-4-6-7-14-11(5-2)10(8-12-3)9-13-14/h9,12H,4-8H2,1-3H3
InChIKeyVXPYLEODNAVJBG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds6

About 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine

1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 66439934) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID66439934
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCCCn1ncc(CNC)c1CC
InChIInChI=1S/C11H21N3/c1-4-6-7-14-11(5-2)10(8-12-3)9-13-14/h9,12H,4-8H2,1-3H3
InChIKeyVXPYLEODNAVJBG-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66442022
1-(1-benzyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
CID 66441097
(1-butyl-5-fluoropyrazol-4-yl)methanol
CID 171315893
1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66441666
1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66442333
N-[(1-butyl-5-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 66440340
N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66442349
N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine
CID 66442382
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440607
[1-[2-(dimethylamino)ethyl]-5-ethylpyrazol-4-yl]methanol
CID 66438345
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine (CID 66439934) is 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine is CCCCn1ncc(CNC)c1CC.
What is the InChIKey of 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is VXPYLEODNAVJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-7-14-11(5-2)10(8-12-3)9-13-14/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine?
1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 66439934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).