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

C18H22ClF3N6O2 — CID 19338693

IUPAC3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H22ClF3N6O2/c1-11-14(19)16(18(20,21)22)25-28(11)9-6-13(29)24-12-10-23-26(2)15(12)17(30)27-7-4-3-5-8-27/h10H,3-9H2,1-2H3,(H,24,29)
InChIKeyGPINLWRNSDJIPG-UHFFFAOYSA-N
MW446.86 g/mol
LogP3.25
Rot. Bonds5

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

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide (PubChem CID 19338693) has the molecular formula C18H22ClF3N6O2 and a molecular weight of 446.86 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
PubChem CID19338693
Molecular FormulaC18H22ClF3N6O2
Molecular Weight446.86 g/mol
Exact Mass446.14
IUPAC Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H22ClF3N6O2/c1-11-14(19)16(18(20,21)22)25-28(11)9-6-13(29)24-12-10-23-26(2)15(12)17(30)27-7-4-3-5-8-27/h10H,3-9H2,1-2H3,(H,24,29)
InChIKeyGPINLWRNSDJIPG-UHFFFAOYSA-N
XLogP3.25
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[2-(4-Chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4776458
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 4776916
4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
N-cyclopentyl-4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17025340
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]acetamide
CID 19584805
4-chloro-1,3-dimethyl-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 119068429
N-[5-(aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768107
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4768135
4-({[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4768284
N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-YL]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768469

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide (CID 19338693) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide is Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(C)c1C(=O)N1CCCCC1.
What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
The InChIKey is GPINLWRNSDJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N6O2/c1-11-14(19)16(18(20,21)22)25-28(11)9-6-13(29)24-12-10-23-26(2)15(12)17(30)27-7-4-3-5-8-27/h10H,3-9H2,1-2H3,(H,24,29).
What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide?
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide has a molecular weight of 446.86 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19338693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).