2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C15H19ClN6O — CID 91842692

IUPAC2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCN(c3ncccc3Cl)CC2)n1
InChIInChI=1S/C15H19ClN6O/c1-20-6-4-13(19-20)18-14(23)11-21-7-9-22(10-8-21)15-12(16)3-2-5-17-15/h2-6H,7-11H2,1H3,(H,18,19,23)
InChIKeyGUPUPCLTOSJJNT-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.23
Rot. Bonds4

About 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91842692) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91842692
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)CN2CCN(c3ncccc3Cl)CC2)n1
InChIInChI=1S/C15H19ClN6O/c1-20-6-4-13(19-20)18-14(23)11-21-7-9-22(10-8-21)15-12(16)3-2-5-17-15/h2-6H,7-11H2,1H3,(H,18,19,23)
InChIKeyGUPUPCLTOSJJNT-UHFFFAOYSA-N
XLogP1.23
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 135119537
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91838124
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229
N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
CID 91833419
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485630
2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N-phenylacetamide
CID 133490606
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 60616938
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 135112335
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 91842692) is 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)CN2CCN(c3ncccc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is GUPUPCLTOSJJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-20-6-4-13(19-20)18-14(23)11-21-7-9-22(10-8-21)15-12(16)3-2-5-17-15/h2-6H,7-11H2,1H3,(H,18,19,23).
What are the key properties of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 334.81 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91842692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).