2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide

C23H28F3N5O2 — CID 55606693

IUPAC2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1
InChIInChI=1S/C23H28F3N5O2/c1-2-8-27-20(32)15-29-9-11-30(12-10-29)22(33)19-14-28-31(21(19)16-6-7-16)18-5-3-4-17(13-18)23(24,25)26/h3-5,13-14,16H,2,6-12,15H2,1H3,(H,27,32)
InChIKeyAQAZQRTVNKLUPR-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.05
Rot. Bonds7

About 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide

2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55606693) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
PubChem CID55606693
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Name2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1
InChIInChI=1S/C23H28F3N5O2/c1-2-8-27-20(32)15-29-9-11-30(12-10-29)22(33)19-14-28-31(21(19)16-6-7-16)18-5-3-4-17(13-18)23(24,25)26/h3-5,13-14,16H,2,6-12,15H2,1H3,(H,27,32)
InChIKeyAQAZQRTVNKLUPR-UHFFFAOYSA-N
XLogP3.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-anilinopyrrolidin-1-yl)-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 56503058
[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 119414315
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576441
5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55609641
1-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835873
2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55607525
5-cyclopropyl-N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 52850985
3-[[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]butanoic acid
CID 119220762
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120944942
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide (CID 55606693) is 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1.
What is the InChIKey of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is AQAZQRTVNKLUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-2-8-27-20(32)15-29-9-11-30(12-10-29)22(33)19-14-28-31(21(19)16-6-7-16)18-5-3-4-17(13-18)23(24,25)26/h3-5,13-14,16H,2,6-12,15H2,1H3,(H,27,32).
What are the key properties of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 463.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55606693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).