1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine

C14H16FN5S — CID 122169302

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1Cn1cc(NCc2ccc(F)s2)cn1
InChIInChI=1S/C14H16FN5S/c1-10-11(7-19(2)18-10)8-20-9-12(5-17-20)16-6-13-3-4-14(15)21-13/h3-5,7,9,16H,6,8H2,1-2H3
InChIKeyWWYSANALWFFGAX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.79
Rot. Bonds5

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine (PubChem CID 122169302) has the molecular formula C14H16FN5S and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine
PubChem CID122169302
Molecular FormulaC14H16FN5S
Molecular Weight305.38 g/mol
Exact Mass305.11
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1Cn1cc(NCc2ccc(F)s2)cn1
InChIInChI=1S/C14H16FN5S/c1-10-11(7-19(2)18-10)8-20-9-12(5-17-20)16-6-13-3-4-14(15)21-13/h3-5,7,9,16H,6,8H2,1-2H3
InChIKeyWWYSANALWFFGAX-UHFFFAOYSA-N
XLogP2.79
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine (CID 122169302) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine is Cc1nn(C)cc1Cn1cc(NCc2ccc(F)s2)cn1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine?
The InChIKey is WWYSANALWFFGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5S/c1-10-11(7-19(2)18-10)8-20-9-12(5-17-20)16-6-13-3-4-14(15)21-13/h3-5,7,9,16H,6,8H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine has a molecular weight of 305.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122169302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).