5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C14H19FN4 — CID 66019338

IUPAC5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H19FN4/c1-9(2)13-12(16)14(19(3)18-13)17-8-10-4-6-11(15)7-5-10/h4-7,9,17H,8,16H2,1-3H3
InChIKeyJNVSPGLVPCMQMN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.88
Rot. Bonds4

About 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66019338) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66019338
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCc2ccc(F)cc2)c1N
InChIInChI=1S/C14H19FN4/c1-9(2)13-12(16)14(19(3)18-13)17-8-10-4-6-11(15)7-5-10/h4-7,9,17H,8,16H2,1-3H3
InChIKeyJNVSPGLVPCMQMN-UHFFFAOYSA-N
XLogP2.88
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66019338) is 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NCc2ccc(F)cc2)c1N.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is JNVSPGLVPCMQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-9(2)13-12(16)14(19(3)18-13)17-8-10-4-6-11(15)7-5-10/h4-7,9,17H,8,16H2,1-3H3.
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66019338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).