N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine

C21H28N6 — CID 46991989

IUPACN-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCC(CCn1cccn1)NC1CCN(c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C21H28N6/c1-18(8-17-26-13-2-11-22-26)24-19-9-15-25(16-10-19)20-4-6-21(7-5-20)27-14-3-12-23-27/h2-7,11-14,18-19,24H,8-10,15-17H2,1H3
InChIKeyFWJNVEXDAGQIHS-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.11
Rot. Bonds7

About N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine

N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine (PubChem CID 46991989) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
PubChem CID46991989
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCC(CCn1cccn1)NC1CCN(c2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C21H28N6/c1-18(8-17-26-13-2-11-22-26)24-19-9-15-25(16-10-19)20-4-6-21(7-5-20)27-14-3-12-23-27/h2-7,11-14,18-19,24H,8-10,15-17H2,1H3
InChIKeyFWJNVEXDAGQIHS-UHFFFAOYSA-N
XLogP3.11
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-imidazol-1-ylphenyl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95046077
N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
2-[4-(4-pyrazol-1-ylbutan-2-ylamino)piperidin-1-yl]cyclohexan-1-ol
CID 110013412
N-(4-pyrazol-1-ylbutan-2-yl)-1-pyridin-2-ylpiperidin-3-amine
CID 75499739
N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
CID 103787492
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine
CID 30957466
N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-4-(triazol-1-yl)aniline
CID 99590957
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 141145994
4-(4-pyrazol-1-ylbutan-2-ylamino)oxolan-3-ol
CID 115977930
N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine
CID 30854411

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine (CID 46991989) is N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine is CC(CCn1cccn1)NC1CCN(c2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
The InChIKey is FWJNVEXDAGQIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-18(8-17-26-13-2-11-22-26)24-19-9-15-25(16-10-19)20-4-6-21(7-5-20)27-14-3-12-23-27/h2-7,11-14,18-19,24H,8-10,15-17H2,1H3.
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine?
N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine has a molecular weight of 364.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 46991989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).