4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide

C10H16FN5O — CID 70892329

IUPAC4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide
SMILESCN(c1c(F)c(C(N)=O)nn1C)[C@H]1CCNC1
InChIInChI=1S/C10H16FN5O/c1-15(6-3-4-13-5-6)10-7(11)8(9(12)17)14-16(10)2/h6,13H,3-5H2,1-2H3,(H2,12,17)/t6-/m0/s1
InChIKeyYTEDJJYMKJOJNM-LURJTMIESA-N
MW241.27 g/mol
LogP-0.54
Rot. Bonds3

About 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide

4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide (PubChem CID 70892329) has the molecular formula C10H16FN5O and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide
PubChem CID70892329
Molecular FormulaC10H16FN5O
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Name4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide
SMILESCN(c1c(F)c(C(N)=O)nn1C)[C@H]1CCNC1
InChIInChI=1S/C10H16FN5O/c1-15(6-3-4-13-5-6)10-7(11)8(9(12)17)14-16(10)2/h6,13H,3-5H2,1-2H3,(H2,12,17)/t6-/m0/s1
InChIKeyYTEDJJYMKJOJNM-LURJTMIESA-N
XLogP-0.54
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide?
The IUPAC name of 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide (CID 70892329) is 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide is CN(c1c(F)c(C(N)=O)nn1C)[C@H]1CCNC1.
What is the InChIKey of 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide?
The InChIKey is YTEDJJYMKJOJNM-LURJTMIESA-N. The full InChI is InChI=1S/C10H16FN5O/c1-15(6-3-4-13-5-6)10-7(11)8(9(12)17)14-16(10)2/h6,13H,3-5H2,1-2H3,(H2,12,17)/t6-/m0/s1.
What are the key properties of 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide?
4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide has a molecular weight of 241.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-5-[methyl-[(3S)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 70892329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).