N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine

C12H21ClFN3 — CID 107446638

IUPACN-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(CC(F)CNC(C)(C)C)c1Cl
InChIInChI=1S/C12H21ClFN3/c1-8-11(13)10(17(5)16-8)6-9(14)7-15-12(2,3)4/h9,15H,6-7H2,1-5H3
InChIKeyPWGFDIXHRAATSG-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.65
Rot. Bonds4

About N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine

N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine (PubChem CID 107446638) has the molecular formula C12H21ClFN3 and a molecular weight of 261.77 g/mol. Its IUPAC name is N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine
PubChem CID107446638
Molecular FormulaC12H21ClFN3
Molecular Weight261.77 g/mol
Exact Mass261.14
IUPAC NameN-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine
SMILESCc1nn(C)c(CC(F)CNC(C)(C)C)c1Cl
InChIInChI=1S/C12H21ClFN3/c1-8-11(13)10(17(5)16-8)6-9(14)7-15-12(2,3)4/h9,15H,6-7H2,1-5H3
InChIKeyPWGFDIXHRAATSG-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine (CID 107446638) is N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine is Cc1nn(C)c(CC(F)CNC(C)(C)C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
The InChIKey is PWGFDIXHRAATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClFN3/c1-8-11(13)10(17(5)16-8)6-9(14)7-15-12(2,3)4/h9,15H,6-7H2,1-5H3.
What are the key properties of N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine?
N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine has a molecular weight of 261.77 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-fluoropropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).