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

C12H18FN5 — CID 122166889

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1c(C)cnn1C
InChIInChI=1S/C12H18FN5/c1-9-6-15-17(3)11(9)7-14-12-10(2)8-18(16-12)5-4-13/h6,8H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyWLNRQICZSPLPIB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.82
Rot. Bonds5

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

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (PubChem CID 122166889) has the molecular formula C12H18FN5 and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
PubChem CID122166889
Molecular FormulaC12H18FN5
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1c(C)cnn1C
InChIInChI=1S/C12H18FN5/c1-9-6-15-17(3)11(9)7-14-12-10(2)8-18(16-12)5-4-13/h6,8H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyWLNRQICZSPLPIB-UHFFFAOYSA-N
XLogP1.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (CID 122166889) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is Cc1cn(CCF)nc1NCc1c(C)cnn1C.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The InChIKey is WLNRQICZSPLPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5/c1-9-6-15-17(3)11(9)7-14-12-10(2)8-18(16-12)5-4-13/h6,8H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine has a molecular weight of 251.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 122166889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).