3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide

C20H25F3N6O2 — CID 19338669

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
SMILESCn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H25F3N6O2/c1-27-18(19(31)28-8-3-2-4-9-28)14(12-24-27)25-17(30)7-10-29-15(13-5-6-13)11-16(26-29)20(21,22)23/h11-13H,2-10H2,1H3,(H,25,30)
InChIKeyUQLBQAVQAKFRAA-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.17
Rot. Bonds6

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide (PubChem CID 19338669) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
PubChem CID19338669
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
SMILESCn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H25F3N6O2/c1-27-18(19(31)28-8-3-2-4-9-28)14(12-24-27)25-17(30)7-10-29-15(13-5-6-13)11-16(26-29)20(21,22)23/h11-13H,2-10H2,1H3,(H,25,30)
InChIKeyUQLBQAVQAKFRAA-UHFFFAOYSA-N
XLogP3.17
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide (CID 19338669) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide is Cn1ncc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C(=O)N1CCCCC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The InChIKey is UQLBQAVQAKFRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-27-18(19(31)28-8-3-2-4-9-28)14(12-24-27)25-17(30)7-10-29-15(13-5-6-13)11-16(26-29)20(21,22)23/h11-13H,2-10H2,1H3,(H,25,30).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide has a molecular weight of 438.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19338669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).