5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide

C10H16FN3O — CID 154869419

IUPAC5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(F)[nH]n1
InChIInChI=1S/C10H16FN3O/c1-3-5-14(6-4-2)10(15)8-7-9(11)13-12-8/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyJEOXEKUHQWOPHK-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.81
Rot. Bonds5

About 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide

5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide (PubChem CID 154869419) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide
PubChem CID154869419
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(F)[nH]n1
InChIInChI=1S/C10H16FN3O/c1-3-5-14(6-4-2)10(15)8-7-9(11)13-12-8/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyJEOXEKUHQWOPHK-UHFFFAOYSA-N
XLogP1.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide (CID 154869419) is 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide is CCCN(CCC)C(=O)c1cc(F)[nH]n1.
What is the InChIKey of 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide?
The InChIKey is JEOXEKUHQWOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-3-5-14(6-4-2)10(15)8-7-9(11)13-12-8/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide?
5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dipropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154869419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).