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

C8H14FN3 — CID 83816271

IUPACN-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]ncc1NCC(C)(C)F
InChIInChI=1S/C8H14FN3/c1-6-7(4-11-12-6)10-5-8(2,3)9/h4,10H,5H2,1-3H3,(H,11,12)
InChIKeyJYITZCRZJOZICF-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.88
Rot. Bonds3

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

N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 83816271) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID83816271
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC NameN-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]ncc1NCC(C)(C)F
InChIInChI=1S/C8H14FN3/c1-6-7(4-11-12-6)10-5-8(2,3)9/h4,10H,5H2,1-3H3,(H,11,12)
InChIKeyJYITZCRZJOZICF-UHFFFAOYSA-N
XLogP1.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine (CID 83816271) is N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine is Cc1[nH]ncc1NCC(C)(C)F.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is JYITZCRZJOZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-6-7(4-11-12-6)10-5-8(2,3)9/h4,10H,5H2,1-3H3,(H,11,12).
What are the key properties of N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine?
N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 171.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 83816271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).