N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

C15H17Cl2N5O — CID 171994214

IUPACN-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ncc(Cl)cc3Cl)C2)cn1
InChIInChI=1S/C15H17Cl2N5O/c1-21-8-10(6-19-21)15(23)20-12-3-2-4-22(9-12)14-13(17)5-11(16)7-18-14/h5-8,12H,2-4,9H2,1H3,(H,20,23)
InChIKeyMPFJGUXWLZOSTG-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.52
Rot. Bonds3

About N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 171994214) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID171994214
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCCN(c3ncc(Cl)cc3Cl)C2)cn1
InChIInChI=1S/C15H17Cl2N5O/c1-21-8-10(6-19-21)15(23)20-12-3-2-4-22(9-12)14-13(17)5-11(16)7-18-14/h5-8,12H,2-4,9H2,1H3,(H,20,23)
InChIKeyMPFJGUXWLZOSTG-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993320
1-methyl-N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171690523
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
N-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993635
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891424
N-[1-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171993653
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997253
1-methyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 171993375
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993639
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993626

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 171994214) is N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCCN(c3ncc(Cl)cc3Cl)C2)cn1.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MPFJGUXWLZOSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c1-21-8-10(6-19-21)15(23)20-12-3-2-4-22(9-12)14-13(17)5-11(16)7-18-14/h5-8,12H,2-4,9H2,1H3,(H,20,23).
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 171994214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).