3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide

C18H22FN3O — CID 2809850

IUPAC3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O/c1-18(2,3)16-10-15(17(23)20-14-8-9-14)22(21-16)11-12-4-6-13(19)7-5-12/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyFTBJNGVZZJZYRJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.26
Rot. Bonds4

About 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide

3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide (PubChem CID 2809850) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
PubChem CID2809850
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NC2CC2)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H22FN3O/c1-18(2,3)16-10-15(17(23)20-14-8-9-14)22(21-16)11-12-4-6-13(19)7-5-12/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyFTBJNGVZZJZYRJ-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide (CID 2809850) is 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)NC2CC2)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is FTBJNGVZZJZYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-18(2,3)16-10-15(17(23)20-14-8-9-14)22(21-16)11-12-4-6-13(19)7-5-12/h4-7,10,14H,8-9,11H2,1-3H3,(H,20,23).
What are the key properties of 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 2809850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).