N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine

C21H25N5 — CID 97323181

IUPACN-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESC[C@@H](NC1CCN(c2ccccn2)CC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H25N5/c1-17(18-6-4-7-20(16-18)26-13-5-12-23-26)24-19-9-14-25(15-10-19)21-8-2-3-11-22-21/h2-8,11-13,16-17,19,24H,9-10,14-15H2,1H3/t17-/m1/s1
InChIKeyNSVVRVFFNNNXGI-QGZVFWFLSA-N
MW347.47 g/mol
LogP3.59
Rot. Bonds5

About N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 97323181) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID97323181
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESC[C@@H](NC1CCN(c2ccccn2)CC1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H25N5/c1-17(18-6-4-7-20(16-18)26-13-5-12-23-26)24-19-9-14-25(15-10-19)21-8-2-3-11-22-21/h2-8,11-13,16-17,19,24H,9-10,14-15H2,1H3/t17-/m1/s1
InChIKeyNSVVRVFFNNNXGI-QGZVFWFLSA-N
XLogP3.59
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 99702183
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 119046492
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 106820380
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 124854450
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine (CID 97323181) is N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine is C[C@@H](NC1CCN(c2ccccn2)CC1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is NSVVRVFFNNNXGI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N5/c1-17(18-6-4-7-20(16-18)26-13-5-12-23-26)24-19-9-14-25(15-10-19)21-8-2-3-11-22-21/h2-8,11-13,16-17,19,24H,9-10,14-15H2,1H3/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 97323181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).