3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide

C16H20ClN5O — CID 75098455

IUPAC3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)NC1CC(c2ccccc2)NN1
InChIInChI=1S/C16H20ClN5O/c1-11(9-22-10-13(17)8-18-22)16(23)19-15-7-14(20-21-15)12-5-3-2-4-6-12/h2-6,8,10-11,14-15,20-21H,7,9H2,1H3,(H,19,23)
InChIKeyDYNDQDWAOGBPDI-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.85
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide

3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide (PubChem CID 75098455) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
PubChem CID75098455
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)NC1CC(c2ccccc2)NN1
InChIInChI=1S/C16H20ClN5O/c1-11(9-22-10-13(17)8-18-22)16(23)19-15-7-14(20-21-15)12-5-3-2-4-6-12/h2-6,8,10-11,14-15,20-21H,7,9H2,1H3,(H,19,23)
InChIKeyDYNDQDWAOGBPDI-UHFFFAOYSA-N
XLogP1.85
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
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3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide (CID 75098455) is 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide is CC(Cn1cc(Cl)cn1)C(=O)NC1CC(c2ccccc2)NN1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
The InChIKey is DYNDQDWAOGBPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-11(9-22-10-13(17)8-18-22)16(23)19-15-7-14(20-21-15)12-5-3-2-4-6-12/h2-6,8,10-11,14-15,20-21H,7,9H2,1H3,(H,19,23).
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide?
3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-phenylpyrazolidin-3-yl)propanamide is sourced from PubChem (CID 75098455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).