4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide

C10H14F2N4O — CID 114224039

IUPAC4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC2CCC(F)(F)C2)cc1N
InChIInChI=1S/C10H14F2N4O/c11-10(12)2-1-6(3-10)4-16-5-7(13)8(15-16)9(14)17/h5-6H,1-4,13H2,(H2,14,17)
InChIKeyVTVQIRLLQNVHDI-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.00
Rot. Bonds3

About 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide

4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide (PubChem CID 114224039) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide
PubChem CID114224039
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(CC2CCC(F)(F)C2)cc1N
InChIInChI=1S/C10H14F2N4O/c11-10(12)2-1-6(3-10)4-16-5-7(13)8(15-16)9(14)17/h5-6H,1-4,13H2,(H2,14,17)
InChIKeyVTVQIRLLQNVHDI-UHFFFAOYSA-N
XLogP1.00
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide (CID 114224039) is 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide is NC(=O)c1nn(CC2CCC(F)(F)C2)cc1N.
What is the InChIKey of 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide?
The InChIKey is VTVQIRLLQNVHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-10(12)2-1-6(3-10)4-16-5-7(13)8(15-16)9(14)17/h5-6H,1-4,13H2,(H2,14,17).
What are the key properties of 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide?
4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide has a molecular weight of 244.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3,3-difluorocyclopentyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 114224039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).