N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide

C19H27N5O — CID 84598284

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide
SMILESCc1cc(NC(=O)CNC(C)c2cccc(N3CCCC3)c2)n(C)n1
InChIInChI=1S/C19H27N5O/c1-14-11-18(23(3)22-14)21-19(25)13-20-15(2)16-7-6-8-17(12-16)24-9-4-5-10-24/h6-8,11-12,15,20H,4-5,9-10,13H2,1-3H3,(H,21,25)
InChIKeyLNGRJKGKRXRYKV-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.62
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide (PubChem CID 84598284) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide
PubChem CID84598284
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide
SMILESCc1cc(NC(=O)CNC(C)c2cccc(N3CCCC3)c2)n(C)n1
InChIInChI=1S/C19H27N5O/c1-14-11-18(23(3)22-14)21-19(25)13-20-15(2)16-7-6-8-17(12-16)24-9-4-5-10-24/h6-8,11-12,15,20H,4-5,9-10,13H2,1-3H3,(H,21,25)
InChIKeyLNGRJKGKRXRYKV-UHFFFAOYSA-N
XLogP2.62
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2334617
5-[[1-(3-pyrrolidin-1-ylphenyl)ethylamino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 166251739
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 71855099
N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
CID 175743962
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 25341331
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9307551
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 71972333
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 65295071
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide (CID 84598284) is N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide is Cc1cc(NC(=O)CNC(C)c2cccc(N3CCCC3)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide?
The InChIKey is LNGRJKGKRXRYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-11-18(23(3)22-14)21-19(25)13-20-15(2)16-7-6-8-17(12-16)24-9-4-5-10-24/h6-8,11-12,15,20H,4-5,9-10,13H2,1-3H3,(H,21,25).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[1-(3-pyrrolidin-1-ylphenyl)ethylamino]acetamide is sourced from PubChem (CID 84598284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).