N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine

C8H14FN3 — CID 130496244

IUPACN-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(NCCF)n1
InChIInChI=1S/C8H14FN3/c1-7(2)12-6-3-8(11-12)10-5-4-9/h3,6-7H,4-5H2,1-2H3,(H,10,11)
InChIKeyCNYFKCGSFRHXMN-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.85
Rot. Bonds4

About N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine

N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine (PubChem CID 130496244) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
PubChem CID130496244
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC NameN-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
SMILESCC(C)n1ccc(NCCF)n1
InChIInChI=1S/C8H14FN3/c1-7(2)12-6-3-8(11-12)10-5-4-9/h3,6-7H,4-5H2,1-2H3,(H,10,11)
InChIKeyCNYFKCGSFRHXMN-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246
N-(3-ethylsulfonylpropyl)-1-propan-2-ylpyrazol-3-amine
CID 114094321
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356
N-[(5-fluorothiophen-2-yl)methyl]-1-propan-2-ylpyrazol-3-amine;hydrochloride
CID 126966943
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283
2-[(1-propan-2-ylpyrazol-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114094335
N-[(5-bromo-2-pyridinyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094567
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
N-[(4-bromo-3-methylphenyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094562
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167539

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine (CID 130496244) is N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine is CC(C)n1ccc(NCCF)n1.
What is the InChIKey of N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine?
The InChIKey is CNYFKCGSFRHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-7(2)12-6-3-8(11-12)10-5-4-9/h3,6-7H,4-5H2,1-2H3,(H,10,11).
What are the key properties of N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine?
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine has a molecular weight of 171.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 130496244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).