2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

C19H24N4O — CID 50970599

IUPAC2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC=C(c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C19H24N4O/c1-21(2)19(24)15-22-10-8-17(9-11-22)18-12-20-23(14-18)13-16-6-4-3-5-7-16/h3-8,12,14H,9-11,13,15H2,1-2H3
InChIKeyUPJVCLKBUVLSIP-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 50970599) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID50970599
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC=C(c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C19H24N4O/c1-21(2)19(24)15-22-10-8-17(9-11-22)18-12-20-23(14-18)13-16-6-4-3-5-7-16/h3-8,12,14H,9-11,13,15H2,1-2H3
InChIKeyUPJVCLKBUVLSIP-UHFFFAOYSA-N
XLogP2.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (CID 50970599) is 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC=C(c2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is UPJVCLKBUVLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21(2)19(24)15-22-10-8-17(9-11-22)18-12-20-23(14-18)13-16-6-4-3-5-7-16/h3-8,12,14H,9-11,13,15H2,1-2H3.
What are the key properties of 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 324.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 50970599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).