1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine

C14H22FN5 — CID 122167549

IUPAC1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cn(C(C)C)nc1C
InChIInChI=1S/C14H22FN5/c1-10(2)20-9-13(12(4)18-20)8-16-14-11(3)7-17-19(14)6-5-15/h7,9-10,16H,5-6,8H2,1-4H3
InChIKeyRFSKPSJSQWTCAS-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine

1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine (PubChem CID 122167549) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine
PubChem CID122167549
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine
SMILESCc1cnn(CCF)c1NCc1cn(C(C)C)nc1C
InChIInChI=1S/C14H22FN5/c1-10(2)20-9-13(12(4)18-20)8-16-14-11(3)7-17-19(14)6-5-15/h7,9-10,16H,5-6,8H2,1-4H3
InChIKeyRFSKPSJSQWTCAS-UHFFFAOYSA-N
XLogP2.86
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine (CID 122167549) is 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine is Cc1cnn(CCF)c1NCc1cn(C(C)C)nc1C.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine?
The InChIKey is RFSKPSJSQWTCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-10(2)20-9-13(12(4)18-20)8-16-14-11(3)7-17-19(14)6-5-15/h7,9-10,16H,5-6,8H2,1-4H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine?
1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine has a molecular weight of 279.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 122167549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).