N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C18H23F3N4O2 — CID 39045341

IUPACN-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C18H23F3N4O2/c1-4-27-9-5-8-22-17(26)14-11-24-25(16(14)12(2)3)15-7-6-13(10-23-15)18(19,20)21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,26)
InChIKeyONKCNYKZZKNGRC-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.57
Rot. Bonds8

About N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 39045341) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID39045341
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC NameN-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C18H23F3N4O2/c1-4-27-9-5-8-22-17(26)14-11-24-25(16(14)12(2)3)15-7-6-13(10-23-15)18(19,20)21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,26)
InChIKeyONKCNYKZZKNGRC-UHFFFAOYSA-N
XLogP3.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 39045341) is N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CCOCCCNC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is ONKCNYKZZKNGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-4-27-9-5-8-22-17(26)14-11-24-25(16(14)12(2)3)15-7-6-13(10-23-15)18(19,20)21/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,26).
What are the key properties of N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39045341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).