3-ethyl-1-methyl-N-pentylpyrazol-4-amine

C11H21N3 — CID 107462468

IUPAC3-ethyl-1-methyl-N-pentylpyrazol-4-amine
SMILESCCCCCNc1cn(C)nc1CC
InChIInChI=1S/C11H21N3/c1-4-6-7-8-12-11-9-14(3)13-10(11)5-2/h9,12H,4-8H2,1-3H3
InChIKeyFHYYIVSCQUTLQE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds6

About 3-ethyl-1-methyl-N-pentylpyrazol-4-amine

3-ethyl-1-methyl-N-pentylpyrazol-4-amine (PubChem CID 107462468) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-pentylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-pentylpyrazol-4-amine
PubChem CID107462468
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-ethyl-1-methyl-N-pentylpyrazol-4-amine
SMILESCCCCCNc1cn(C)nc1CC
InChIInChI=1S/C11H21N3/c1-4-6-7-8-12-11-9-14(3)13-10(11)5-2/h9,12H,4-8H2,1-3H3
InChIKeyFHYYIVSCQUTLQE-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
CID 107462882
N-butyl-3-ethyl-1-pentylpyrazol-4-amine
CID 56609100
3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
CID 107462469
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 107463799
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-pentylpyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-pentylpyrazol-4-amine (CID 107462468) is 3-ethyl-1-methyl-N-pentylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-pentylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-pentylpyrazol-4-amine is CCCCCNc1cn(C)nc1CC.
What is the InChIKey of 3-ethyl-1-methyl-N-pentylpyrazol-4-amine?
The InChIKey is FHYYIVSCQUTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-7-8-12-11-9-14(3)13-10(11)5-2/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-pentylpyrazol-4-amine?
3-ethyl-1-methyl-N-pentylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-pentylpyrazol-4-amine is sourced from PubChem (CID 107462468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).