4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C18H16Cl2N6O2 — CID 165415386

IUPAC4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H16Cl2N6O2/c1-24-16(14(10-21-24)18(28)25-4-2-5-25)17(27)22-15-3-6-26(23-15)13-8-11(19)7-12(20)9-13/h3,6-10H,2,4-5H2,1H3,(H,22,23,27)
InChIKeySBWNIRKHXUHADE-UHFFFAOYSA-N
MW419.27 g/mol
LogP3.01
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415386) has the molecular formula C18H16Cl2N6O2 and a molecular weight of 419.27 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415386
Molecular FormulaC18H16Cl2N6O2
Molecular Weight419.27 g/mol
Exact Mass418.07
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H16Cl2N6O2/c1-24-16(14(10-21-24)18(28)25-4-2-5-25)17(27)22-15-3-6-26(23-15)13-8-11(19)7-12(20)9-13/h3,6-10H,2,4-5H2,1H3,(H,22,23,27)
InChIKeySBWNIRKHXUHADE-UHFFFAOYSA-N
XLogP3.01
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
N-tert-Butyl-1-(2,4-dichlorophenyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 50907710
1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide
CID 50907920
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
CID 1223565
2-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049403
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 165368460
4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 165368468
4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
CID 165415040
4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415090
4-(azetidine-1-carbonyl)-N-[1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415157
4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415305
4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415319

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 165415386) is 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is SBWNIRKHXUHADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O2/c1-24-16(14(10-21-24)18(28)25-4-2-5-25)17(27)22-15-3-6-26(23-15)13-8-11(19)7-12(20)9-13/h3,6-10H,2,4-5H2,1H3,(H,22,23,27).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 419.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-(3,5-dichlorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).