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

C9H10F3N5 — CID 163930782

IUPACN,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine
SMILESCNc1c(-c2cc(C(F)(F)F)[nH]n2)cnn1C
InChIInChI=1S/C9H10F3N5/c1-13-8-5(4-14-17(8)2)6-3-7(16-15-6)9(10,11)12/h3-4,13H,1-2H3,(H,15,16)
InChIKeyRINAXYOCDZTEFU-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.87
Rot. Bonds2

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

N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine (PubChem CID 163930782) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine
PubChem CID163930782
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC NameN,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine
SMILESCNc1c(-c2cc(C(F)(F)F)[nH]n2)cnn1C
InChIInChI=1S/C9H10F3N5/c1-13-8-5(4-14-17(8)2)6-3-7(16-15-6)9(10,11)12/h3-4,13H,1-2H3,(H,15,16)
InChIKeyRINAXYOCDZTEFU-UHFFFAOYSA-N
XLogP1.87
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine?
The IUPAC name of N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine (CID 163930782) is N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine.
What is the SMILES notation for N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine?
The canonical SMILES for N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine is CNc1c(-c2cc(C(F)(F)F)[nH]n2)cnn1C.
What is the InChIKey of N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine?
The InChIKey is RINAXYOCDZTEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-13-8-5(4-14-17(8)2)6-3-7(16-15-6)9(10,11)12/h3-4,13H,1-2H3,(H,15,16).
What are the key properties of N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine?
N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine has a molecular weight of 245.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazol-5-amine is sourced from PubChem (CID 163930782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).