2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C14H16F3N5O — CID 4765525

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H16F3N5O/c1-21-10(4-5-19-21)7-18-13(23)8-22-11(9-2-3-9)6-12(20-22)14(15,16)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,23)
InChIKeyOQULNPMAXXTDAK-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.83
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 4765525) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID4765525
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H16F3N5O/c1-21-10(4-5-19-21)7-18-13(23)8-22-11(9-2-3-9)6-12(20-22)14(15,16)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,23)
InChIKeyOQULNPMAXXTDAK-UHFFFAOYSA-N
XLogP1.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 893028
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770840
N-(cyclopropylmethyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104288
3-isobutyl-1-methyl-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70779406
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 71808566
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)butanamide
CID 72894076
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 843910
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-propylacetamide
CID 4116900

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 4765525) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cn1nccc1CNC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is OQULNPMAXXTDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-21-10(4-5-19-21)7-18-13(23)8-22-11(9-2-3-9)6-12(20-22)14(15,16)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,23).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 4765525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).