5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride

C9H10Cl2F2N4 — CID 138039892

IUPAC5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C9H8F2N4.2ClH/c10-9(11)8-7(12)5-14-15(8)6-1-3-13-4-2-6;;/h1-5,9H,12H2;2*1H
InChIKeyRKLBXSQCTDLJRD-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.63
Rot. Bonds2

About 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride

5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride (PubChem CID 138039892) has the molecular formula C9H10Cl2F2N4 and a molecular weight of 283.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride
PubChem CID138039892
Molecular FormulaC9H10Cl2F2N4
Molecular Weight283.11 g/mol
Exact Mass282.03
IUPAC Name5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C9H8F2N4.2ClH/c10-9(11)8-7(12)5-14-15(8)6-1-3-13-4-2-6;;/h1-5,9H,12H2;2*1H
InChIKeyRKLBXSQCTDLJRD-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1H-pyrazol-4-amine
CID 121021
3-(Pyridine-2-yl)-5-trifluoromethylpyrazole
CID 611600
2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657
2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-pyridinylamine
CID 1473015
Methyl-pyridin-4-yl-(2-vinyl-pyrrol-1-yl)-amine
CID 10375506
Pyridine, 4-(4-aminopyrazol-1-yl)-
CID 206684
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
3-(1H-pyrazol-1-yl)pyridine
CID 11378567
4-(1H-Pyrazol-1-yl)pyridine
CID 20041704
(1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)methanamine
CID 52943064
1-Methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
CID 136961394
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride (CID 138039892) is 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride is Cl.Cl.Nc1cnn(-c2ccncc2)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride?
The InChIKey is RKLBXSQCTDLJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4.2ClH/c10-9(11)8-7(12)5-14-15(8)6-1-3-13-4-2-6;;/h1-5,9H,12H2;2*1H.
What are the key properties of 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride?
5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride has a molecular weight of 283.11 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-pyridin-4-ylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 138039892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).