1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine

C19H21N5 — CID 53309524

IUPAC1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine
SMILESCN1CCC(=Nc2cnn(-c3ccccc3)c2-n2cccc2)CC1
InChIInChI=1S/C19H21N5/c1-22-13-9-16(10-14-22)21-18-15-20-24(17-7-3-2-4-8-17)19(18)23-11-5-6-12-23/h2-8,11-12,15H,9-10,13-14H2,1H3
InChIKeyNJAUDTZMNCCMFS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.46
Rot. Bonds3

About 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine

1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine (PubChem CID 53309524) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine.

Molecular Properties

Compound Name1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine
PubChem CID53309524
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine
SMILESCN1CCC(=Nc2cnn(-c3ccccc3)c2-n2cccc2)CC1
InChIInChI=1S/C19H21N5/c1-22-13-9-16(10-14-22)21-18-15-20-24(17-7-3-2-4-8-17)19(18)23-11-5-6-12-23/h2-8,11-12,15H,9-10,13-14H2,1H3
InChIKeyNJAUDTZMNCCMFS-UHFFFAOYSA-N
XLogP3.46
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
CID 13409751
(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 20892633
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20915103
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 22511699
2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-1-piperidin-1-ylethanone
CID 4259938
1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one
CID 10612565
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 6623449

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine?
The IUPAC name of 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine (CID 53309524) is 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine.
What is the SMILES notation for 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine?
The canonical SMILES for 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine is CN1CCC(=Nc2cnn(-c3ccccc3)c2-n2cccc2)CC1.
What is the InChIKey of 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine?
The InChIKey is NJAUDTZMNCCMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-22-13-9-16(10-14-22)21-18-15-20-24(17-7-3-2-4-8-17)19(18)23-11-5-6-12-23/h2-8,11-12,15H,9-10,13-14H2,1H3.
What are the key properties of 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine?
1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine has a molecular weight of 319.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)piperidin-4-imine is sourced from PubChem (CID 53309524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).