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

C17H22N4O2 — CID 56890643

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2C2CCNC2)[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)
InChIKeyGMAJOMNRQCILSW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds6

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

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide (PubChem CID 56890643) 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-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide
PubChem CID56890643
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2C2CCNC2)[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)
InChIKeyGMAJOMNRQCILSW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide (CID 56890643) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide is COCc1cc(CNC(=O)c2ccccc2C2CCNC2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide?
The InChIKey is GMAJOMNRQCILSW-UHFFFAOYSA-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).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-3-ylbenzamide 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-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56890643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).