N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C18H18N6O — CID 134007071

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1-n1cccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N6O/c1-12(16-21-14-7-3-4-8-15(14)22-16)20-17(25)13-11-19-23(2)18(13)24-9-5-6-10-24/h3-12H,1-2H3,(H,20,25)(H,21,22)
InChIKeyFFMUPLBHRYVSAE-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 134007071) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID134007071
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1-n1cccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N6O/c1-12(16-21-14-7-3-4-8-15(14)22-16)20-17(25)13-11-19-23(2)18(13)24-9-5-6-10-24/h3-12H,1-2H3,(H,20,25)(H,21,22)
InChIKeyFFMUPLBHRYVSAE-UHFFFAOYSA-N
XLogP2.58
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71879454
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 60620350
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
CID 76879730
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61067307
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 134007071) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1-n1cccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is FFMUPLBHRYVSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12(16-21-14-7-3-4-8-15(14)22-16)20-17(25)13-11-19-23(2)18(13)24-9-5-6-10-24/h3-12H,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 134007071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).