4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide

C18H21N5O2 — CID 100830814

IUPAC4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)Nc3nccn3C)c2)cc1
InChIInChI=1S/C18H21N5O2/c1-22-11-9-19-18(22)21-17(24)4-3-10-23-13-15(12-20-23)14-5-7-16(25-2)8-6-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,21,24)
InChIKeyHYLYIOCSILGCMM-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.71
Rot. Bonds7

About 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide

4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide (PubChem CID 100830814) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide
PubChem CID100830814
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)Nc3nccn3C)c2)cc1
InChIInChI=1S/C18H21N5O2/c1-22-11-9-19-18(22)21-17(24)4-3-10-23-13-15(12-20-23)14-5-7-16(25-2)8-6-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,21,24)
InChIKeyHYLYIOCSILGCMM-UHFFFAOYSA-N
XLogP2.71
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide (CID 100830814) is 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide is COc1ccc(-c2cnn(CCCC(=O)Nc3nccn3C)c2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide?
The InChIKey is HYLYIOCSILGCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22-11-9-19-18(22)21-17(24)4-3-10-23-13-15(12-20-23)14-5-7-16(25-2)8-6-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,19,21,24).
What are the key properties of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide?
4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide has a molecular weight of 339.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 100830814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).