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

C19H23F2N3O2 — CID 46491652

IUPAC1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)24-16(10-15(23-24)13-6-7-13)17(25)22-11-12-4-8-14(9-5-12)26-18(20)21/h4-5,8-10,13,18H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyMMJJKMJOMVERSZ-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.05
Rot. Bonds6

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

1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 46491652) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID46491652
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)24-16(10-15(23-24)13-6-7-13)17(25)22-11-12-4-8-14(9-5-12)26-18(20)21/h4-5,8-10,13,18H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyMMJJKMJOMVERSZ-UHFFFAOYSA-N
XLogP4.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide (CID 46491652) is 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is CC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is MMJJKMJOMVERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-19(2,3)24-16(10-15(23-24)13-6-7-13)17(25)22-11-12-4-8-14(9-5-12)26-18(20)21/h4-5,8-10,13,18H,6-7,11H2,1-3H3,(H,22,25).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46491652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).