N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine

C22H30N6 — CID 30957466

IUPACN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCc1cc(C)n(C[C@@H](C)NC2CCN(c3cccc(-n4cccn4)c3)CC2)n1
InChIInChI=1S/C22H30N6/c1-17-14-19(3)28(25-17)16-18(2)24-20-8-12-26(13-9-20)21-6-4-7-22(15-21)27-11-5-10-23-27/h4-7,10-11,14-15,18,20,24H,8-9,12-13,16H2,1-3H3/t18-/m1/s1
InChIKeySAZZMSCZIXHNDE-GOSISDBHSA-N
MW378.52 g/mol
LogP3.33
Rot. Bonds6

About N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine (PubChem CID 30957466) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine
PubChem CID30957466
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine
SMILESCc1cc(C)n(C[C@@H](C)NC2CCN(c3cccc(-n4cccn4)c3)CC2)n1
InChIInChI=1S/C22H30N6/c1-17-14-19(3)28(25-17)16-18(2)24-20-8-12-26(13-9-20)21-6-4-7-22(15-21)27-11-5-10-23-27/h4-7,10-11,14-15,18,20,24H,8-9,12-13,16H2,1-3H3/t18-/m1/s1
InChIKeySAZZMSCZIXHNDE-GOSISDBHSA-N
XLogP3.33
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyrazol-1-ylbutan-2-yl)-1-(4-pyrazol-1-ylphenyl)piperidin-4-amine
CID 46991989
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperidin-4-amine
CID 30854411
N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97323181
1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine
CID 43739937
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 97348201
1-(4-imidazol-1-ylphenyl)-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-4-amine
CID 95046077
N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
CID 103787492
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
N-(4-methylpentan-2-yl)-1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-amine
CID 46993017
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 99702183

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
The IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine (CID 30957466) is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine.
What is the SMILES notation for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
The canonical SMILES for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine is Cc1cc(C)n(C[C@@H](C)NC2CCN(c3cccc(-n4cccn4)c3)CC2)n1.
What is the InChIKey of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
The InChIKey is SAZZMSCZIXHNDE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N6/c1-17-14-19(3)28(25-17)16-18(2)24-20-8-12-26(13-9-20)21-6-4-7-22(15-21)27-11-5-10-23-27/h4-7,10-11,14-15,18,20,24H,8-9,12-13,16H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine?
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine has a molecular weight of 378.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-(3-pyrazol-1-ylphenyl)piperidin-4-amine is sourced from PubChem (CID 30957466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).