(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C16H19N5 — CID 51683973

IUPAC(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N5/c1-14(12-20-9-5-8-18-20)17-10-15-11-19-21(13-15)16-6-3-2-4-7-16/h2-9,11,13-14,17H,10,12H2,1H3/t14-/m1/s1
InChIKeyPSQARYOQDVENBX-CQSZACIVSA-N
MW281.36 g/mol
LogP2.25
Rot. Bonds6

About (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 51683973) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID51683973
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N5/c1-14(12-20-9-5-8-18-20)17-10-15-11-19-21(13-15)16-6-3-2-4-7-16/h2-9,11,13-14,17H,10,12H2,1H3/t14-/m1/s1
InChIKeyPSQARYOQDVENBX-CQSZACIVSA-N
XLogP2.25
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 51683296
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 95273102
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631537
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 51683973) is (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is PSQARYOQDVENBX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5/c1-14(12-20-9-5-8-18-20)17-10-15-11-19-21(13-15)16-6-3-2-4-7-16/h2-9,11,13-14,17H,10,12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 51683973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).