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

C18H24N6O — CID 95744356

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
SMILESCc1cccc2c1cnn2CCC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C18H24N6O/c1-14-5-4-6-17-16(14)12-20-24(17)8-7-18(25)21-15-11-19-23(13-15)10-9-22(2)3/h4-6,11-13H,7-10H2,1-3H3,(H,21,25)
InChIKeyCYIUPKYFUROLFB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds7

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

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide (PubChem CID 95744356) 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-(4-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
PubChem CID95744356
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
SMILESCc1cccc2c1cnn2CCC(=O)Nc1cnn(CCN(C)C)c1
InChIInChI=1S/C18H24N6O/c1-14-5-4-6-17-16(14)12-20-24(17)8-7-18(25)21-15-11-19-23(13-15)10-9-22(2)3/h4-6,11-13H,7-10H2,1-3H3,(H,21,25)
InChIKeyCYIUPKYFUROLFB-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide (CID 95744356) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide is Cc1cccc2c1cnn2CCC(=O)Nc1cnn(CCN(C)C)c1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide?
The InChIKey is CYIUPKYFUROLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-14-5-4-6-17-16(14)12-20-24(17)8-7-18(25)21-15-11-19-23(13-15)10-9-22(2)3/h4-6,11-13H,7-10H2,1-3H3,(H,21,25).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-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-(4-methylindazol-1-yl)propanamide is sourced from PubChem (CID 95744356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).