N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

C17H22N4O2 — CID 95713576

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2[C@@H]2CCNC2)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-23-11-14-8-13(20-21-14)10-19-17(22)16-5-3-2-4-15(16)12-6-7-18-9-12/h2-5,8,12,18H,6-7,9-11H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyGMAJOMNRQCILSW-GFCCVEGCSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 95713576) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID95713576
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2[C@@H]2CCNC2)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-23-11-14-8-13(20-21-14)10-19-17(22)16-5-3-2-4-15(16)12-6-7-18-9-12/h2-5,8,12,18H,6-7,9-11H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyGMAJOMNRQCILSW-GFCCVEGCSA-N
XLogP1.56
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide 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-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46982449
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
CID 91772290
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide
CID 56755942
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154895225
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56898601

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (CID 95713576) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is COCc1cc(CNC(=O)c2ccccc2[C@@H]2CCNC2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is GMAJOMNRQCILSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-11-14-8-13(20-21-14)10-19-17(22)16-5-3-2-4-15(16)12-6-7-18-9-12/h2-5,8,12,18H,6-7,9-11H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95713576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).