N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide

C9H14F2N4O2 — CID 114255137

IUPACN-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NCC(F)(F)CN)nn1C
InChIInChI=1S/C9H14F2N4O2/c1-15-7(17-2)3-6(14-15)8(16)13-5-9(10,11)4-12/h3H,4-5,12H2,1-2H3,(H,13,16)
InChIKeyDDPLUCUNRHKCKZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.25
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 114255137) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID114255137
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NCC(F)(F)CN)nn1C
InChIInChI=1S/C9H14F2N4O2/c1-15-7(17-2)3-6(14-15)8(16)13-5-9(10,11)4-12/h3H,4-5,12H2,1-2H3,(H,13,16)
InChIKeyDDPLUCUNRHKCKZ-UHFFFAOYSA-N
XLogP-0.25
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide (CID 114255137) is N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide is COc1cc(C(=O)NCC(F)(F)CN)nn1C.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is DDPLUCUNRHKCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c1-15-7(17-2)3-6(14-15)8(16)13-5-9(10,11)4-12/h3H,4-5,12H2,1-2H3,(H,13,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 248.23 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114255137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).