3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide

C14H18N4O — CID 15943461

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccccn2)n1
InChIInChI=1S/C14H18N4O/c1-10-8-11(2)18(17-10)12(3)9-14(19)16-13-6-4-5-7-15-13/h4-8,12H,9H2,1-3H3,(H,15,16,19)
InChIKeyMFGKYFVHSNDKCE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide

3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide (PubChem CID 15943461) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide
PubChem CID15943461
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccccn2)n1
InChIInChI=1S/C14H18N4O/c1-10-8-11(2)18(17-10)12(3)9-14(19)16-13-6-4-5-7-15-13/h4-8,12H,9H2,1-3H3,(H,15,16,19)
InChIKeyMFGKYFVHSNDKCE-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide (CID 15943461) is 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide is Cc1cc(C)n(C(C)CC(=O)Nc2ccccn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide?
The InChIKey is MFGKYFVHSNDKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-11(2)18(17-10)12(3)9-14(19)16-13-6-4-5-7-15-13/h4-8,12H,9H2,1-3H3,(H,15,16,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 15943461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).