N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine

C17H21N5 — CID 131952072

IUPACN-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc(C(Cn2cccn2)NCCCn2cccn2)cc1
InChIInChI=1S/C17H21N5/c1-2-7-16(8-3-1)17(15-22-14-6-11-20-22)18-9-4-12-21-13-5-10-19-21/h1-3,5-8,10-11,13-14,17-18H,4,9,12,15H2
InChIKeyBDMQSYRBKAFXRG-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.50
Rot. Bonds8

About N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine

N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine (PubChem CID 131952072) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
PubChem CID131952072
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
SMILESc1ccc(C(Cn2cccn2)NCCCn2cccn2)cc1
InChIInChI=1S/C17H21N5/c1-2-7-16(8-3-1)17(15-22-14-6-11-20-22)18-9-4-12-21-13-5-10-19-21/h1-3,5-8,10-11,13-14,17-18H,4,9,12,15H2
InChIKeyBDMQSYRBKAFXRG-UHFFFAOYSA-N
XLogP2.50
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112700089
1-(4-phenoxyphenyl)-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 166338628
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 75376384
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 54951481
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708583
N-(benzylsulfamoyl)-1-phenyl-2-pyrazol-1-ylethanamine
CID 56865893

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine (CID 131952072) is N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine is c1ccc(C(Cn2cccn2)NCCCn2cccn2)cc1.
What is the InChIKey of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is BDMQSYRBKAFXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-7-16(8-3-1)17(15-22-14-6-11-20-22)18-9-4-12-21-13-5-10-19-21/h1-3,5-8,10-11,13-14,17-18H,4,9,12,15H2.
What are the key properties of N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine?
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 131952072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).