2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

C20H29N5O — CID 119107208

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(NCc1cn[nH]c1C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H29N5O/c1-3-7-19(21-13-16-14-22-24-15(16)2)20(26)23-17-8-6-9-18(12-17)25-10-4-5-11-25/h6,8-9,12,14,19,21H,3-5,7,10-11,13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyPXZVVAPVFXZCLF-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.22
Rot. Bonds8

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 119107208) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID119107208
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(NCc1cn[nH]c1C)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H29N5O/c1-3-7-19(21-13-16-14-22-24-15(16)2)20(26)23-17-8-6-9-18(12-17)25-10-4-5-11-25/h6,8-9,12,14,19,21H,3-5,7,10-11,13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyPXZVVAPVFXZCLF-UHFFFAOYSA-N
XLogP3.22
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
CID 71857290
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 119107045
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119872875
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86878307
6-fluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1H-benzimidazole-4-carboxamide
CID 52526858
N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52525487
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide (CID 119107208) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide is CCCC(NCc1cn[nH]c1C)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is PXZVVAPVFXZCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-7-19(21-13-16-14-22-24-15(16)2)20(26)23-17-8-6-9-18(12-17)25-10-4-5-11-25/h6,8-9,12,14,19,21H,3-5,7,10-11,13H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 355.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 119107208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).