N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C11H19F2N3 — CID 102869214

IUPACN-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C)C(F)F
InChIInChI=1S/C11H19F2N3/c1-6(2)16-9(5)10(7(3)15-16)14-8(4)11(12)13/h6,8,11,14H,1-5H3
InChIKeyYVNLMGLRIJUUJW-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.15
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 102869214) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID102869214
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C)C(F)F
InChIInChI=1S/C11H19F2N3/c1-6(2)16-9(5)10(7(3)15-16)14-8(4)11(12)13/h6,8,11,14H,1-5H3
InChIKeyYVNLMGLRIJUUJW-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.15
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)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 102869214) is N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is YVNLMGLRIJUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3/c1-6(2)16-9(5)10(7(3)15-16)14-8(4)11(12)13/h6,8,11,14H,1-5H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 231.29 g/mol, XLogP of 3.15, 4 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)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 102869214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).