N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C9H13F4N3 — CID 103529531

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCc1n[nH]c(C)c1CNCC(F)(F)C(F)F
InChIInChI=1S/C9H13F4N3/c1-5-7(6(2)16-15-5)3-14-4-9(12,13)8(10)11/h8,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyOUUYXODPFXFVNY-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.02
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529531) has the molecular formula C9H13F4N3 and a molecular weight of 239.22 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529531
Molecular FormulaC9H13F4N3
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCc1n[nH]c(C)c1CNCC(F)(F)C(F)F
InChIInChI=1S/C9H13F4N3/c1-5-7(6(2)16-15-5)3-14-4-9(12,13)8(10)11/h8,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyOUUYXODPFXFVNY-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 103529531) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is Cc1n[nH]c(C)c1CNCC(F)(F)C(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is OUUYXODPFXFVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N3/c1-5-7(6(2)16-15-5)3-14-4-9(12,13)8(10)11/h8,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 239.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).