3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

C12H21ClN4O — CID 19570403

IUPAC3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)NCCCN(C)C
InChIInChI=1S/C12H21ClN4O/c1-10(8-17-9-11(13)7-15-17)12(18)14-5-4-6-16(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyVPURMKBRXHYBFO-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.24
Rot. Bonds7

About 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (PubChem CID 19570403) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
PubChem CID19570403
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(Cn1cc(Cl)cn1)C(=O)NCCCN(C)C
InChIInChI=1S/C12H21ClN4O/c1-10(8-17-9-11(13)7-15-17)12(18)14-5-4-6-16(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyVPURMKBRXHYBFO-UHFFFAOYSA-N
XLogP1.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]butanamide
CID 19536837
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19570569
(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 51392006
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
3-(4-chloropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19570486
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
3-(4-chloropyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 56725947
3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 19570577
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
CID 39735322

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (CID 19570403) is 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is CC(Cn1cc(Cl)cn1)C(=O)NCCCN(C)C.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The InChIKey is VPURMKBRXHYBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-10(8-17-9-11(13)7-15-17)12(18)14-5-4-6-16(2)3/h7,9-10H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide has a molecular weight of 272.78 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 19570403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).