4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide

C15H23N5O — CID 6499045

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NCCn2nccc2C)n1
InChIInChI=1S/C15H23N5O/c1-12-11-14(3)20(18-12)9-4-5-15(21)16-8-10-19-13(2)6-7-17-19/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,21)
InChIKeyQJWIRNLEVVZTGV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide (PubChem CID 6499045) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
PubChem CID6499045
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NCCn2nccc2C)n1
InChIInChI=1S/C15H23N5O/c1-12-11-14(3)20(18-12)9-4-5-15(21)16-8-10-19-13(2)6-7-17-19/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,21)
InChIKeyQJWIRNLEVVZTGV-UHFFFAOYSA-N
XLogP1.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889397
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
2-(4-Iodo-3,5-dimethylpyrazolyl)-1-pyrazolylethan-1-one
CID 1511691
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37393007
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49786572
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72890234
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 92589742
Ethane-1,2-diamine, N,N'-(1-methyl-5-pyrazolylcarbonyl)-
CID 573224
1-tert-butyl-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70761669

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide (CID 6499045) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide is Cc1cc(C)n(CCCC(=O)NCCn2nccc2C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide?
The InChIKey is QJWIRNLEVVZTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12-11-14(3)20(18-12)9-4-5-15(21)16-8-10-19-13(2)6-7-17-19/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,21).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide has a molecular weight of 289.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 6499045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).