1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine

C9H17N3 — CID 7022224

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1nc(C)c(CNC)c1C
InChIInChI=1S/C9H17N3/c1-5-12-8(3)9(6-10-4)7(2)11-12/h10H,5-6H2,1-4H3
InChIKeyGMTGJNZXFRIXQA-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.24
Rot. Bonds3

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 7022224) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID7022224
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1nc(C)c(CNC)c1C
InChIInChI=1S/C9H17N3/c1-5-12-8(3)9(6-10-4)7(2)11-12/h10H,5-6H2,1-4H3
InChIKeyGMTGJNZXFRIXQA-UHFFFAOYSA-N
XLogP1.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647632
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
1-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 65097691
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 129322576
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43647654
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
4-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647628
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
4-(2-bromoethyl)-1-ethyl-3,5-dimethylpyrazole
CID 103027318

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine (CID 7022224) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine is CCn1nc(C)c(CNC)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is GMTGJNZXFRIXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-12-8(3)9(6-10-4)7(2)11-12/h10H,5-6H2,1-4H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 7022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).