4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

C11H17FN4O — CID 154457523

IUPAC4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(C[C@]2(F)CCNC2)c(C(N)=O)nn1C
InChIInChI=1S/C11H17FN4O/c1-7-8(5-11(12)3-4-14-6-11)9(10(13)17)15-16(7)2/h14H,3-6H2,1-2H3,(H2,13,17)/t11-/m1/s1
InChIKeyOKWIXFMRCWQOHQ-LLVKDONJSA-N
MW240.28 g/mol
LogP0.07
Rot. Bonds3

About 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 154457523) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID154457523
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(C[C@]2(F)CCNC2)c(C(N)=O)nn1C
InChIInChI=1S/C11H17FN4O/c1-7-8(5-11(12)3-4-14-6-11)9(10(13)17)15-16(7)2/h14H,3-6H2,1-2H3,(H2,13,17)/t11-/m1/s1
InChIKeyOKWIXFMRCWQOHQ-LLVKDONJSA-N
XLogP0.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 154457523) is 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1c(C[C@]2(F)CCNC2)c(C(N)=O)nn1C.
What is the InChIKey of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OKWIXFMRCWQOHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-7-8(5-11(12)3-4-14-6-11)9(10(13)17)15-16(7)2/h14H,3-6H2,1-2H3,(H2,13,17)/t11-/m1/s1.
What are the key properties of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 154457523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).