N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide

C19H23F3N4O2 — CID 126808546

IUPACN-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1
InChIInChI=1S/C19H23F3N4O2/c1-12(2)28-17-9-14(6-7-23-17)10-25(15-4-5-15)18(27)11-26-13(3)8-16(24-26)19(20,21)22/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyHALQRHSOWUZNIP-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.58
Rot. Bonds7

About N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide

N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide (PubChem CID 126808546) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide
PubChem CID126808546
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1
InChIInChI=1S/C19H23F3N4O2/c1-12(2)28-17-9-14(6-7-23-17)10-25(15-4-5-15)18(27)11-26-13(3)8-16(24-26)19(20,21)22/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyHALQRHSOWUZNIP-UHFFFAOYSA-N
XLogP3.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

US11045457, Example 19
CID 146401844
US11045457, Example 25
CID 146402305
US11045457, Example 169
CID 146402362
US11045457, Example 28
CID 146402366
N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-2-(5-methyl-1H-pyrazol-1-yl)-N-(4-pyridinylmethyl)acetamide
CID 26282504
1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 39502363
1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 39502631
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45816667
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45816805
1-[(2-Cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51082854
N-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51103867
2-(5-methyl-1H-pyrazol-1-yl)-N-({2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methyl)acetamide
CID 56749485

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide (CID 126808546) is N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)N(Cc1ccnc(OC(C)C)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide?
The InChIKey is HALQRHSOWUZNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-12(2)28-17-9-14(6-7-23-17)10-25(15-4-5-15)18(27)11-26-13(3)8-16(24-26)19(20,21)22/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide?
N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 126808546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).