3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide

C7H9F3N4O — CID 64524468

IUPAC3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCC(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)1-2-12-6(15)4-3-5(11)14-13-4/h3H,1-2H2,(H,12,15)(H3,11,13,14)
InChIKeyLKMYUDDAUVYUMC-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.67
Rot. Bonds3

About 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide

3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524468) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
PubChem CID64524468
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCC(F)(F)F)[nH]n1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)1-2-12-6(15)4-3-5(11)14-13-4/h3H,1-2H2,(H,12,15)(H3,11,13,14)
InChIKeyLKMYUDDAUVYUMC-UHFFFAOYSA-N
XLogP0.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide (CID 64524468) is 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCCC(F)(F)F)[nH]n1.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LKMYUDDAUVYUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)1-2-12-6(15)4-3-5(11)14-13-4/h3H,1-2H2,(H,12,15)(H3,11,13,14).
What are the key properties of 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).