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

C21H21N5O2 — CID 171144573

IUPACN-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCc1ncccc1C(=O)NC1Cc2c(C(=O)NCc3ccccc3)cnn2C1
InChIInChI=1S/C21H21N5O2/c1-14-17(8-5-9-22-14)21(28)25-16-10-19-18(12-24-26(19)13-16)20(27)23-11-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,23,27)(H,25,28)
InChIKeyIBHZKVZTFBSPPM-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.87
Rot. Bonds5

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

N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (PubChem CID 171144573) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
PubChem CID171144573
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCc1ncccc1C(=O)NC1Cc2c(C(=O)NCc3ccccc3)cnn2C1
InChIInChI=1S/C21H21N5O2/c1-14-17(8-5-9-22-14)21(28)25-16-10-19-18(12-24-26(19)13-16)20(27)23-11-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,23,27)(H,25,28)
InChIKeyIBHZKVZTFBSPPM-UHFFFAOYSA-N
XLogP1.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-[(2-methylpyridine-3-carbonyl)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-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144581
N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144578
N-benzyl-5-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171141571
N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144600
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (CID 171144573) is N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is Cc1ncccc1C(=O)NC1Cc2c(C(=O)NCc3ccccc3)cnn2C1.
What is the InChIKey of N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The InChIKey is IBHZKVZTFBSPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-17(8-5-9-22-14)21(28)25-16-10-19-18(12-24-26(19)13-16)20(27)23-11-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,23,27)(H,25,28).
What are the key properties of N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is sourced from PubChem (CID 171144573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).