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

C7H13N3 — CID 672401

IUPAC1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(CNC)cn1
InChIInChI=1S/C7H13N3/c1-3-10-6-7(4-8-2)5-9-10/h5-6,8H,3-4H2,1-2H3
InChIKeyLNLBAJDAQVQFBD-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.62
Rot. Bonds3

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

1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 672401) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID672401
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(CNC)cn1
InChIInChI=1S/C7H13N3/c1-3-10-6-7(4-8-2)5-9-10/h5-6,8H,3-4H2,1-2H3
InChIKeyLNLBAJDAQVQFBD-UHFFFAOYSA-N
XLogP0.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((1-Methyl-1H-pyrazol-4-yl)methyl)piperazine
CID 7022272
1,4-Dimethylpyrazole
CID 136836
4-Ethynyl-1-methyl-1H-pyrazole
CID 51138321
3-(4-methyl-1H-pyrazol-1-yl)piperidine
CID 54592641
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-methyl-1H-pyrazole-4-carbonitrile
CID 12747521
4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
4-Bromo-1-propyl-1H-pyrazole
CID 21859707
1-ethyl-4-ethynyl-1H-pyrazole
CID 22042601
3-Iodo-1,4-dimethyl-1H-pyrazole
CID 57883344
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (CID 672401) is 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is CCn1cc(CNC)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is LNLBAJDAQVQFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10-6-7(4-8-2)5-9-10/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
1-(1-ethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 672401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).