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

C13H19F2N5 — CID 122167550

IUPAC1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C(C)C)cc1CNc1cnn(CC(F)F)c1
InChIInChI=1S/C13H19F2N5/c1-9(2)20-6-11(10(3)18-20)4-16-12-5-17-19(7-12)8-13(14)15/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyAJOJVPNYMSXUGC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds6

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

1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 122167550) has the molecular formula C13H19F2N5 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID122167550
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C(C)C)cc1CNc1cnn(CC(F)F)c1
InChIInChI=1S/C13H19F2N5/c1-9(2)20-6-11(10(3)18-20)4-16-12-5-17-19(7-12)8-13(14)15/h5-7,9,13,16H,4,8H2,1-3H3
InChIKeyAJOJVPNYMSXUGC-UHFFFAOYSA-N
XLogP2.85
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine (CID 122167550) is 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine is Cc1nn(C(C)C)cc1CNc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is AJOJVPNYMSXUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5/c1-9(2)20-6-11(10(3)18-20)4-16-12-5-17-19(7-12)8-13(14)15/h5-7,9,13,16H,4,8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 283.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122167550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).