N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H23ClN4O — CID 131890592

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C17H23ClN4O/c1-11-14(12(2)22(5)20-11)7-9-17(23)19-15-10-13(18)6-8-16(15)21(3)4/h6,8,10H,7,9H2,1-5H3,(H,19,23)
InChIKeyLAGHXNNGFORBIY-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.33
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 131890592) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID131890592
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C17H23ClN4O/c1-11-14(12(2)22(5)20-11)7-9-17(23)19-15-10-13(18)6-8-16(15)21(3)4/h6,8,10H,7,9H2,1-5H3,(H,19,23)
InChIKeyLAGHXNNGFORBIY-UHFFFAOYSA-N
XLogP3.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55645164
N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
CID 131944002
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099093
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41377657
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037448
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 38663684

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 131890592) is N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is LAGHXNNGFORBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-11-14(12(2)22(5)20-11)7-9-17(23)19-15-10-13(18)6-8-16(15)21(3)4/h6,8,10H,7,9H2,1-5H3,(H,19,23).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 334.85 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 131890592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).