5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

C15H21FN4 — CID 66017108

IUPAC5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)Cc2ccccc2F)c1N
InChIInChI=1S/C15H21FN4/c1-4-7-13-14(17)15(20(3)18-13)19(2)10-11-8-5-6-9-12(11)16/h5-6,8-9H,4,7,10,17H2,1-3H3
InChIKeyKGTWDEAKXKGGHI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.73
Rot. Bonds5

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

5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017108) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
PubChem CID66017108
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)Cc2ccccc2F)c1N
InChIInChI=1S/C15H21FN4/c1-4-7-13-14(17)15(20(3)18-13)19(2)10-11-8-5-6-9-12(11)16/h5-6,8-9H,4,7,10,17H2,1-3H3
InChIKeyKGTWDEAKXKGGHI-UHFFFAOYSA-N
XLogP2.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (CID 66017108) is 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)Cc2ccccc2F)c1N.
What is the InChIKey of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
The InChIKey is KGTWDEAKXKGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-4-7-13-14(17)15(20(3)18-13)19(2)10-11-8-5-6-9-12(11)16/h5-6,8-9H,4,7,10,17H2,1-3H3.
What are the key properties of 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?
5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine has a molecular weight of 276.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).