N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide

C10H16F2N4O — CID 114383711

IUPACN-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(F)(F)CN
InChIInChI=1S/C10H16F2N4O/c1-6-8(7(2)16(3)15-6)9(17)14-5-10(11,12)4-13/h4-5,13H2,1-3H3,(H,14,17)
InChIKeyXPHDFAKJRWKZNA-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.36
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 114383711) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID114383711
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCC(F)(F)CN
InChIInChI=1S/C10H16F2N4O/c1-6-8(7(2)16(3)15-6)9(17)14-5-10(11,12)4-13/h4-5,13H2,1-3H3,(H,14,17)
InChIKeyXPHDFAKJRWKZNA-UHFFFAOYSA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 114383711) is N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is XPHDFAKJRWKZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-6-8(7(2)16(3)15-6)9(17)14-5-10(11,12)4-13/h4-5,13H2,1-3H3,(H,14,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 246.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 114383711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).