N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide

C17H24N4O2 — CID 87046604

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C17H24N4O2/c1-14-12-18-21(13-14)9-8-17(22)19-15-4-6-16(7-5-15)23-11-10-20(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)
InChIKeyZTLJLQGABBPNHC-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.16
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 87046604) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID87046604
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(OCCN(C)C)cc2)c1
InChIInChI=1S/C17H24N4O2/c1-14-12-18-21(13-14)9-8-17(22)19-15-4-6-16(7-5-15)23-11-10-20(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,19,22)
InChIKeyZTLJLQGABBPNHC-UHFFFAOYSA-N
XLogP2.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
3-(4-methylpyrazol-1-yl)-N-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]propanamide
CID 164641994
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
N-(3-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873279
3-(3,5-difluorophenoxy)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 171654347
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040595

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 87046604) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(OCCN(C)C)cc2)c1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is ZTLJLQGABBPNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-14-12-18-21(13-14)9-8-17(22)19-15-4-6-16(7-5-15)23-11-10-20(2)3/h4-7,12-13H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 316.41 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 87046604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).