3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide

C17H26N6O — CID 42508756

IUPAC3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C17H26N6O/c1-13(2)11-17(24)20-16-4-8-19-23(16)15-5-9-22(10-6-15)12-14-3-7-18-21-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,18,21)(H,20,24)
InChIKeyGFCVIIKNMLORRF-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.43
Rot. Bonds6

About 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 42508756) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID42508756
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C17H26N6O/c1-13(2)11-17(24)20-16-4-8-19-23(16)15-5-9-22(10-6-15)12-14-3-7-18-21-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,18,21)(H,20,24)
InChIKeyGFCVIIKNMLORRF-UHFFFAOYSA-N
XLogP2.43
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 42508756) is 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccn[nH]2)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is GFCVIIKNMLORRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13(2)11-17(24)20-16-4-8-19-23(16)15-5-9-22(10-6-15)12-14-3-7-18-21-14/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,18,21)(H,20,24).
What are the key properties of 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 330.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 42508756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).