2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide

C21H30N4O2 — CID 55970028

IUPAC2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C21H30N4O2/c1-21(2,3)20(27)22-13-12-19(26)25(4)14-8-11-17-15-18(24-23-17)16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,27)(H,23,24)
InChIKeyYCBXXUJUIYLCNM-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.02
Rot. Bonds8

About 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide

2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide (PubChem CID 55970028) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
PubChem CID55970028
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C21H30N4O2/c1-21(2,3)20(27)22-13-12-19(26)25(4)14-8-11-17-15-18(24-23-17)16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,27)(H,23,24)
InChIKeyYCBXXUJUIYLCNM-UHFFFAOYSA-N
XLogP3.02
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
CID 55766799
N'-(2-cyanoethyl)-N-methyl-N'-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanediamide
CID 56577930
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide
CID 60571055
N-methyl-2-(4-nitrophenyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55813861

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide (CID 55970028) is 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide?
The InChIKey is YCBXXUJUIYLCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(2,3)20(27)22-13-12-19(26)25(4)14-8-11-17-15-18(24-23-17)16-9-6-5-7-10-16/h5-7,9-10,15H,8,11-14H2,1-4H3,(H,22,27)(H,23,24).
What are the key properties of 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide?
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide is sourced from PubChem (CID 55970028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).