N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine

C10H18FN3 — CID 122168973

IUPACN-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
SMILESCCCCNc1cn(CCF)nc1C
InChIInChI=1S/C10H18FN3/c1-3-4-6-12-10-8-14(7-5-11)13-9(10)2/h8,12H,3-7H2,1-2H3
InChIKeyTVYJFYLOBRVYED-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.37
Rot. Bonds6

About N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine

N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine (PubChem CID 122168973) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
PubChem CID122168973
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC NameN-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
SMILESCCCCNc1cn(CCF)nc1C
InChIInChI=1S/C10H18FN3/c1-3-4-6-12-10-8-14(7-5-11)13-9(10)2/h8,12H,3-7H2,1-2H3
InChIKeyTVYJFYLOBRVYED-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.37
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

N-butyl-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168927
N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-3-amine;hydrochloride
CID 126966977
N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-butyl-3-ethyl-1-pentylpyrazol-4-amine
CID 56609100
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168273
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
1-(2-fluoroethyl)-5-methyl-N-pentylpyrazol-4-amine;hydrochloride
CID 126965034
4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
CID 97182111
1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
N-[(4-fluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126964491
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
The IUPAC name of N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine (CID 122168973) is N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine.
What is the SMILES notation for N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
The canonical SMILES for N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine is CCCCNc1cn(CCF)nc1C.
What is the InChIKey of N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
The InChIKey is TVYJFYLOBRVYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-4-6-12-10-8-14(7-5-11)13-9(10)2/h8,12H,3-7H2,1-2H3.
What are the key properties of N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine has a molecular weight of 199.27 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 122168973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).