N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide

C17H22N4O2 — CID 56907719

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide
SMILESCOCc1cc(CNC(=O)c2ccc(C3CCNC3)cc2)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-23-11-16-8-15(20-21-16)10-19-17(22)13-4-2-12(3-5-13)14-6-7-18-9-14/h2-5,8,14,18H,6-7,9-11H2,1H3,(H,19,22)(H,20,21)
InChIKeySQJCHBGHIQHYHX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide (PubChem CID 56907719) 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]-4-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide
PubChem CID56907719
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide
SMILESCOCc1cc(CNC(=O)c2ccc(C3CCNC3)cc2)[nH]n1
InChIInChI=1S/C17H22N4O2/c1-23-11-16-8-15(20-21-16)10-19-17(22)13-4-2-12(3-5-13)14-6-7-18-9-14/h2-5,8,14,18H,6-7,9-11H2,1H3,(H,19,22)(H,20,21)
InChIKeySQJCHBGHIQHYHX-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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Related Compounds

3-(4-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 145969657
1-[(2-fluorophenyl)methyl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 24819296
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46989362
5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 50976064
[2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926806
{4-[(R)-2-[(benzyloxy)methyl]-1-pyrrolidinyl]-1-piperidyl}(3-phenyl-5-pyrazolyl)methanone
CID 99983982
4-(4-Fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 56588774
3-(methoxymethyl)-4-(4-methylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 56588813
5-Benzyl-4-(4-fluorophenyl)-3-(methoxymethyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 56588827
3-(methoxymethyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 56588832
3-(3,4-dimethylphenyl)-N-[(oxolan-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 20918350
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2-(1-oxo-2(1H)-phthalazinyl)acetamide
CID 70780711

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide (CID 56907719) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide is COCc1cc(CNC(=O)c2ccc(C3CCNC3)cc2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-pyrrolidin-3-ylbenzamide?
The InChIKey is SQJCHBGHIQHYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-11-16-8-15(20-21-16)10-19-17(22)13-4-2-12(3-5-13)14-6-7-18-9-14/h2-5,8,14,18H,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]-4-pyrrolidin-3-ylbenzamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-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]-4-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56907719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).