N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide

C18H24N6O — CID 95744353

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cnn(CCN(C)C)c2)c2ccccc12
InChIInChI=1S/C18H24N6O/c1-14-16-6-4-5-7-17(16)24(21-14)9-8-18(25)20-15-12-19-23(13-15)11-10-22(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,20,25)
InChIKeyOMEYGIAHYIFING-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide (PubChem CID 95744353) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide
PubChem CID95744353
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)Nc2cnn(CCN(C)C)c2)c2ccccc12
InChIInChI=1S/C18H24N6O/c1-14-16-6-4-5-7-17(16)24(21-14)9-8-18(25)20-15-12-19-23(13-15)11-10-22(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,20,25)
InChIKeyOMEYGIAHYIFING-UHFFFAOYSA-N
XLogP2.13
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
CID 95744356
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-indazol-1-ylpropanamide
CID 95744349
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 49088305
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605
5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
CID 95744328
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 49087528
4-[(S)-(4-bromophenyl)sulfinyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanamide
CID 96516886
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 49088156
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanediamide
CID 95744217
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide (CID 95744353) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide is Cc1nn(CCC(=O)Nc2cnn(CCN(C)C)c2)c2ccccc12.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide?
The InChIKey is OMEYGIAHYIFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-14-16-6-4-5-7-17(16)24(21-14)9-8-18(25)20-15-12-19-23(13-15)11-10-22(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,20,25).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide is sourced from PubChem (CID 95744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).