N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline

C17H24N4 — CID 79568946

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
SMILESCc1c(CNc2ccc(N3CCCCC3)cc2)cnn1C
InChIInChI=1S/C17H24N4/c1-14-15(13-19-20(14)2)12-18-16-6-8-17(9-7-16)21-10-4-3-5-11-21/h6-9,13,18H,3-5,10-12H2,1-2H3
InChIKeyJYQHWFNVEFFLGN-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.33
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline (PubChem CID 79568946) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
PubChem CID79568946
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
SMILESCc1c(CNc2ccc(N3CCCCC3)cc2)cnn1C
InChIInChI=1S/C17H24N4/c1-14-15(13-19-20(14)2)12-18-16-6-8-17(9-7-16)21-10-4-3-5-11-21/h6-9,13,18H,3-5,10-12H2,1-2H3
InChIKeyJYQHWFNVEFFLGN-UHFFFAOYSA-N
XLogP3.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 43715681
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 115742901
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
4-(difluoromethylsulfanyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79579399
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 106044830
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
CID 109482346
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline (CID 79568946) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline is Cc1c(CNc2ccc(N3CCCCC3)cc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The InChIKey is JYQHWFNVEFFLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-15(13-19-20(14)2)12-18-16-6-8-17(9-7-16)21-10-4-3-5-11-21/h6-9,13,18H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline has a molecular weight of 284.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 79568946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).