N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

C21H20Cl2N4O3 — CID 46451461

IUPACN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H20Cl2N4O3/c22-17-4-1-5-18(23)16(17)12-27-19(6-8-24-27)25-20(28)14-3-2-9-26(11-14)21(29)15-7-10-30-13-15/h1,4-8,10,13-14H,2-3,9,11-12H2,(H,25,28)
InChIKeyZFNRBMPPWDIMSC-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.32
Rot. Bonds5

About N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 46451461) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID46451461
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H20Cl2N4O3/c22-17-4-1-5-18(23)16(17)12-27-19(6-8-24-27)25-20(28)14-3-2-9-26(11-14)21(29)15-7-10-30-13-15/h1,4-8,10,13-14H,2-3,9,11-12H2,(H,25,28)
InChIKeyZFNRBMPPWDIMSC-UHFFFAOYSA-N
XLogP4.32
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568216
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55462668
ethyl (3S)-3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 39991255
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47995274
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 46451461) is N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZFNRBMPPWDIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c22-17-4-1-5-18(23)16(17)12-27-19(6-8-24-27)25-20(28)14-3-2-9-26(11-14)21(29)15-7-10-30-13-15/h1,4-8,10,13-14H,2-3,9,11-12H2,(H,25,28).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46451461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).