1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide

C22H25ClN4O2 — CID 18161482

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H25ClN4O2/c23-19-8-3-2-7-17(19)15-27-16-18(13-25-27)22(28)24-14-20(21-9-6-12-29-21)26-10-4-1-5-11-26/h2-3,6-9,12-13,16,20H,1,4-5,10-11,14-15H2,(H,24,28)
InChIKeyJZDASMIKNAWJET-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.13
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide (PubChem CID 18161482) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide
PubChem CID18161482
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H25ClN4O2/c23-19-8-3-2-7-17(19)15-27-16-18(13-25-27)22(28)24-14-20(21-9-6-12-29-21)26-10-4-1-5-11-26/h2-3,6-9,12-13,16,20H,1,4-5,10-11,14-15H2,(H,24,28)
InChIKeyJZDASMIKNAWJET-UHFFFAOYSA-N
XLogP4.13
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55330164
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 55332973
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
1-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 43045112
1-[(2-chlorophenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34450094
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55740246
5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 35576839

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide (CID 18161482) is 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide is O=C(NCC(c1ccco1)N1CCCCC1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide?
The InChIKey is JZDASMIKNAWJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c23-19-8-3-2-7-17(19)15-27-16-18(13-25-27)22(28)24-14-20(21-9-6-12-29-21)26-10-4-1-5-11-26/h2-3,6-9,12-13,16,20H,1,4-5,10-11,14-15H2,(H,24,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18161482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).