N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide

C10H15ClN4O — CID 130377121

IUPACN-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(C2CCN(Cl)CC2)c1
InChIInChI=1S/C10H15ClN4O/c1-8(16)13-9-6-12-15(7-9)10-2-4-14(11)5-3-10/h6-7,10H,2-5H2,1H3,(H,13,16)
InChIKeyAIBVIQVMJLBQBV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.63
Rot. Bonds2

About N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide

N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide (PubChem CID 130377121) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
PubChem CID130377121
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC NameN-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(C2CCN(Cl)CC2)c1
InChIInChI=1S/C10H15ClN4O/c1-8(16)13-9-6-12-15(7-9)10-2-4-14(11)5-3-10/h6-7,10H,2-5H2,1H3,(H,13,16)
InChIKeyAIBVIQVMJLBQBV-UHFFFAOYSA-N
XLogP1.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

CID 6485356
CID 6485356
CID 51114235
CID 51114235
CID 27281520
CID 27281520
CID 28065173
CID 28065173
CID 28373947
CID 28373947
CID 28313578
CID 28313578
CID 28373958
CID 28373958
CID 28379290
CID 28379290
CID 54593545
CID 54593545
CID 54593547
CID 54593547
CID 64263444
CID 64263444
CID 64270757
CID 64270757

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide (CID 130377121) is N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide is CC(=O)Nc1cnn(C2CCN(Cl)CC2)c1.
What is the InChIKey of N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is AIBVIQVMJLBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-8(16)13-9-6-12-15(7-9)10-2-4-14(11)5-3-10/h6-7,10H,2-5H2,1H3,(H,13,16).
What are the key properties of N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide?
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 242.71 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 130377121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).