N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine

C9H15F2N3 — CID 102868014

IUPACN-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)C(F)F
InChIInChI=1S/C9H15F2N3/c1-5-8(7(3)14(4)13-5)12-6(2)9(10)11/h6,9,12H,1-4H3
InChIKeySISLZMDCOZPBSU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.10
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine

N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 102868014) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID102868014
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)C(F)F
InChIInChI=1S/C9H15F2N3/c1-5-8(7(3)14(4)13-5)12-6(2)9(10)11/h6,9,12H,1-4H3
InChIKeySISLZMDCOZPBSU-UHFFFAOYSA-N
XLogP2.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine (CID 102868014) is N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is SISLZMDCOZPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-5-8(7(3)14(4)13-5)12-6(2)9(10)11/h6,9,12H,1-4H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine?
N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 203.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 102868014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).