1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine

C10H18FN3 — CID 122168982

IUPAC1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCC(C)C
InChIInChI=1S/C10H18FN3/c1-8(2)6-12-10-9(3)7-13-14(10)5-4-11/h7-8,12H,4-6H2,1-3H3
InChIKeyPCXJFVZVIVEEQN-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine

1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine (PubChem CID 122168982) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine
PubChem CID122168982
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCC(C)C
InChIInChI=1S/C10H18FN3/c1-8(2)6-12-10-9(3)7-13-14(10)5-4-11/h7-8,12H,4-6H2,1-3H3
InChIKeyPCXJFVZVIVEEQN-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine (CID 122168982) is 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine is Cc1cnn(CCF)c1NCC(C)C.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is PCXJFVZVIVEEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-8(2)6-12-10-9(3)7-13-14(10)5-4-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine?
1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 199.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 122168982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).