N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H13F3N4O — CID 63710055

IUPACN-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9(1-2-14-6-9)8(18)15-3-7-4-16-17-5-7/h4-5,14H,1-3,6H2,(H,15,18)(H,16,17)
InChIKeyFLDLQFWMXYAGLZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.57
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710055) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710055
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9(1-2-14-6-9)8(18)15-3-7-4-16-17-5-7/h4-5,14H,1-3,6H2,(H,15,18)(H,16,17)
InChIKeyFLDLQFWMXYAGLZ-UHFFFAOYSA-N
XLogP0.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710055) is N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCc1cn[nH]c1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FLDLQFWMXYAGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)9(1-2-14-6-9)8(18)15-3-7-4-16-17-5-7/h4-5,14H,1-3,6H2,(H,15,18)(H,16,17).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).