N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride

C18H26ClN5O — CID 120705203

IUPACN-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1c(C)cnn1C1CCN(Cc2ccccc2)C1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-14-10-20-23(18(14)21-17(24)11-19-2)16-8-9-22(13-16)12-15-6-4-3-5-7-15;/h3-7,10,16,19H,8-9,11-13H2,1-2H3,(H,21,24);1H
InChIKeyFLYFTGAACHNTQW-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.22
Rot. Bonds6

About N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride

N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120705203) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120705203
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC NameN-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1c(C)cnn1C1CCN(Cc2ccccc2)C1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-14-10-20-23(18(14)21-17(24)11-19-2)16-8-9-22(13-16)12-15-6-4-3-5-7-15;/h3-7,10,16,19H,8-9,11-13H2,1-2H3,(H,21,24);1H
InChIKeyFLYFTGAACHNTQW-UHFFFAOYSA-N
XLogP2.22
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride 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'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide
CID 97073584
N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide
CID 99627695
N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]ethanesulfonamide
CID 86799085
2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 124588979
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 23852464
methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate
CID 160510885
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride (CID 120705203) is N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1c(C)cnn1C1CCN(Cc2ccccc2)C1.Cl.
What is the InChIKey of N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is FLYFTGAACHNTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c1-14-10-20-23(18(14)21-17(24)11-19-2)16-8-9-22(13-16)12-15-6-4-3-5-7-15;/h3-7,10,16,19H,8-9,11-13H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride?
N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120705203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).