3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C20H20Cl2N6O2 — CID 19338768

IUPAC3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H20Cl2N6O2/c1-27-18(20(30)28-7-3-2-4-8-28)17(11-23-27)24-19(29)16-10-15(25-26-16)13-6-5-12(21)9-14(13)22/h5-6,9-11H,2-4,7-8H2,1H3,(H,24,29)(H,25,26)
InChIKeyMOUJVJUWUVCRFB-UHFFFAOYSA-N
MW447.33 g/mol
LogP4.00
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19338768) has the molecular formula C20H20Cl2N6O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID19338768
Molecular FormulaC20H20Cl2N6O2
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C(=O)N1CCCCC1
InChIInChI=1S/C20H20Cl2N6O2/c1-27-18(20(30)28-7-3-2-4-8-28)17(11-23-27)24-19(29)16-10-15(25-26-16)13-6-5-12(21)9-14(13)22/h5-6,9-11H,2-4,7-8H2,1H3,(H,24,29)(H,25,26)
InChIKeyMOUJVJUWUVCRFB-UHFFFAOYSA-N
XLogP4.00
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dichlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510190
3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509579
2-[(4-chlorophenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19338784
1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
CID 19449713
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985
[6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 134795215
3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19337047
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515043
3-methoxy-2-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19338744
[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19515045
5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19338817
3-(2,4-dichlorophenyl)-N-(1-methylbenzimidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19509973

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 19338768) is 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is Cn1ncc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C(=O)N1CCCCC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is MOUJVJUWUVCRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N6O2/c1-27-18(20(30)28-7-3-2-4-8-28)17(11-23-27)24-19(29)16-10-15(25-26-16)13-6-5-12(21)9-14(13)22/h5-6,9-11H,2-4,7-8H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 447.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19338768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).