N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

C21H21N5O2 — CID 171144578

IUPACN-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESO=C(Cc1cccnc1)NC1Cc2c(C(=O)NCc3ccccc3)cnn2C1
InChIInChI=1S/C21H21N5O2/c27-20(9-16-7-4-8-22-11-16)25-17-10-19-18(13-24-26(19)14-17)21(28)23-12-15-5-2-1-3-6-15/h1-8,11,13,17H,9-10,12,14H2,(H,23,28)(H,25,27)
InChIKeyLLMZBJDRAAARGB-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.49
Rot. Bonds6

About N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (PubChem CID 171144578) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
PubChem CID171144578
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESO=C(Cc1cccnc1)NC1Cc2c(C(=O)NCc3ccccc3)cnn2C1
InChIInChI=1S/C21H21N5O2/c27-20(9-16-7-4-8-22-11-16)25-17-10-19-18(13-24-26(19)14-17)21(28)23-12-15-5-2-1-3-6-15/h1-8,11,13,17H,9-10,12,14H2,(H,23,28)(H,25,27)
InChIKeyLLMZBJDRAAARGB-UHFFFAOYSA-N
XLogP1.49
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171141571
N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144573
N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144581
N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144600
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037614
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (CID 171144578) is N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is O=C(Cc1cccnc1)NC1Cc2c(C(=O)NCc3ccccc3)cnn2C1.
What is the InChIKey of N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The InChIKey is LLMZBJDRAAARGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(9-16-7-4-8-22-11-16)25-17-10-19-18(13-24-26(19)14-17)21(28)23-12-15-5-2-1-3-6-15/h1-8,11,13,17H,9-10,12,14H2,(H,23,28)(H,25,27).
What are the key properties of N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is sourced from PubChem (CID 171144578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).