N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine

C8H13F2N3 — CID 102868265

IUPACN-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)C(F)F
InChIInChI=1S/C8H13F2N3/c1-4-7(5(2)13-12-4)11-6(3)8(9)10/h6,8,11H,1-3H3,(H,12,13)
InChIKeyNKGOXEPLJRHSKS-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.09
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 102868265) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID102868265
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)C(F)F
InChIInChI=1S/C8H13F2N3/c1-4-7(5(2)13-12-4)11-6(3)8(9)10/h6,8,11H,1-3H3,(H,12,13)
InChIKeyNKGOXEPLJRHSKS-UHFFFAOYSA-N
XLogP2.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 102868265) is N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is NKGOXEPLJRHSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-4-7(5(2)13-12-4)11-6(3)8(9)10/h6,8,11H,1-3H3,(H,12,13).
What are the key properties of N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 189.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 102868265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).