4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine

C13H15FN4 — CID 117367818

IUPAC4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C13H15FN4/c14-11-7-9(10-8-16-17-13(10)15)3-4-12(11)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H3,15,16,17)
InChIKeyDCWWNROEHDXJPC-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.40
Rot. Bonds2

About 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine

4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 117367818) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
PubChem CID117367818
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C13H15FN4/c14-11-7-9(10-8-16-17-13(10)15)3-4-12(11)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H3,15,16,17)
InChIKeyDCWWNROEHDXJPC-UHFFFAOYSA-N
XLogP2.40
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-piperidin-1-ylphenyl)-1H-pyrazol-5-amine
CID 117358181
4-(4-cyclopropylsulfanyl-3-fluorophenyl)-1H-pyrazol-5-amine
CID 117376095
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 115112119
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-5-amine
CID 117417284
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68700957
4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117319576
5-(5-amino-1H-pyrazol-4-yl)-7-fluoro-1-methyl-3H-indol-2-one
CID 117367394
4-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazol-5-amine
CID 117490345

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine (CID 117367818) is 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is DCWWNROEHDXJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-11-7-9(10-8-16-17-13(10)15)3-4-12(11)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2,(H3,15,16,17).
What are the key properties of 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine?
4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 246.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117367818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).