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

C13H19F2N5 — CID 122167328

IUPAC1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccnn2C(F)F)cnn1C(C)C
InChIInChI=1S/C13H19F2N5/c1-9(2)19-10(3)11(7-18-19)6-16-8-12-4-5-17-20(12)13(14)15/h4-5,7,9,13,16H,6,8H2,1-3H3
InChIKeySMUGNJLWVKCVEH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.65
Rot. Bonds6

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

1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 122167328) has the molecular formula C13H19F2N5 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID122167328
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccnn2C(F)F)cnn1C(C)C
InChIInChI=1S/C13H19F2N5/c1-9(2)19-10(3)11(7-18-19)6-16-8-12-4-5-17-20(12)13(14)15/h4-5,7,9,13,16H,6,8H2,1-3H3
InChIKeySMUGNJLWVKCVEH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 122167328) is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine is Cc1c(CNCc2ccnn2C(F)F)cnn1C(C)C.
What is the InChIKey of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is SMUGNJLWVKCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5/c1-9(2)19-10(3)11(7-18-19)6-16-8-12-4-5-17-20(12)13(14)15/h4-5,7,9,13,16H,6,8H2,1-3H3.
What are the key properties of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 122167328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).