3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide

C23H26ClN5O2 — CID 142712061

IUPAC3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)n1cc(-c2ccncc2)c(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C23H26ClN5O2/c1-16-4-2-3-12-28(16)13-11-26-23(31)29-15-19(17-7-9-25-10-8-17)22(27-29)18-5-6-21(30)20(24)14-18/h5-10,14-16,30H,2-4,11-13H2,1H3,(H,26,31)
InChIKeyDWMOZZPFDIKSPD-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.40
Rot. Bonds5

About 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide

3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (PubChem CID 142712061) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
PubChem CID142712061
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)n1cc(-c2ccncc2)c(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C23H26ClN5O2/c1-16-4-2-3-12-28(16)13-11-26-23(31)29-15-19(17-7-9-25-10-8-17)22(27-29)18-5-6-21(30)20(24)14-18/h5-10,14-16,30H,2-4,11-13H2,1H3,(H,26,31)
InChIKeyDWMOZZPFDIKSPD-UHFFFAOYSA-N
XLogP4.40
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chloro-3-methoxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide
CID 56833685
3-(3-chloro-5-hydroxyphenyl)-4-pyridin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrazole-1-carboxamide
CID 53483674
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 95050767
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 97256526
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 95096718
N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
N-[2-(2-methylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 47352688
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide (CID 142712061) is 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is CC1CCCCN1CCNC(=O)n1cc(-c2ccncc2)c(-c2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
The InChIKey is DWMOZZPFDIKSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-16-4-2-3-12-28(16)13-11-26-23(31)29-15-19(17-7-9-25-10-8-17)22(27-29)18-5-6-21(30)20(24)14-18/h5-10,14-16,30H,2-4,11-13H2,1H3,(H,26,31).
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide?
3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-pyridin-4-ylpyrazole-1-carboxamide is sourced from PubChem (CID 142712061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).