N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C18H21N5O — CID 20892553

IUPACN-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C18H21N5O/c1-21(2)13-10-19-17(24)16-14-20-23(15-8-4-3-5-9-15)18(16)22-11-6-7-12-22/h3-9,11-12,14H,10,13H2,1-2H3,(H,19,24)
InChIKeyIKYIHWMHWRMLQV-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20892553) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20892553
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C18H21N5O/c1-21(2)13-10-19-17(24)16-14-20-23(15-8-4-3-5-9-15)18(16)22-11-6-7-12-22/h3-9,11-12,14H,10,13H2,1-2H3,(H,19,24)
InChIKeyIKYIHWMHWRMLQV-UHFFFAOYSA-N
XLogP1.95
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[butyl(methyl)amino]propyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892610
N-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914995
N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936842
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436764
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914926
1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436188
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20892553) is N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CN(C)CCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is IKYIHWMHWRMLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21(2)13-10-19-17(24)16-14-20-23(15-8-4-3-5-9-15)18(16)22-11-6-7-12-22/h3-9,11-12,14H,10,13H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20892553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).