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

C14H27N3 — CID 56609100

IUPACN-butyl-3-ethyl-1-pentylpyrazol-4-amine
SMILESCCCCCn1cc(NCCCC)c(CC)n1
InChIInChI=1S/C14H27N3/c1-4-7-9-11-17-12-14(13(6-3)16-17)15-10-8-5-2/h12,15H,4-11H2,1-3H3
InChIKeyCJBQSAZYKLCULV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.85
Rot. Bonds9

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

N-butyl-3-ethyl-1-pentylpyrazol-4-amine (PubChem CID 56609100) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-butyl-3-ethyl-1-pentylpyrazol-4-amine.

Molecular Properties

Compound NameN-butyl-3-ethyl-1-pentylpyrazol-4-amine
PubChem CID56609100
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-butyl-3-ethyl-1-pentylpyrazol-4-amine
SMILESCCCCCn1cc(NCCCC)c(CC)n1
InChIInChI=1S/C14H27N3/c1-4-7-9-11-17-12-14(13(6-3)16-17)15-10-8-5-2/h12,15H,4-11H2,1-3H3
InChIKeyCJBQSAZYKLCULV-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.85
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

3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168973
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-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
CID 107462469
N-butyl-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168927
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 107463799
1-hexylpyrazole-3,4-diamine
CID 122672209
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-ethyl-1-pentylpyrazol-4-amine?
The IUPAC name of N-butyl-3-ethyl-1-pentylpyrazol-4-amine (CID 56609100) is N-butyl-3-ethyl-1-pentylpyrazol-4-amine.
What is the SMILES notation for N-butyl-3-ethyl-1-pentylpyrazol-4-amine?
The canonical SMILES for N-butyl-3-ethyl-1-pentylpyrazol-4-amine is CCCCCn1cc(NCCCC)c(CC)n1.
What is the InChIKey of N-butyl-3-ethyl-1-pentylpyrazol-4-amine?
The InChIKey is CJBQSAZYKLCULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-7-9-11-17-12-14(13(6-3)16-17)15-10-8-5-2/h12,15H,4-11H2,1-3H3.
What are the key properties of N-butyl-3-ethyl-1-pentylpyrazol-4-amine?
N-butyl-3-ethyl-1-pentylpyrazol-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-ethyl-1-pentylpyrazol-4-amine is sourced from PubChem (CID 56609100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).