3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride

C18H24ClN5O3 — CID 119951973

IUPAC3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C18H23N5O3.ClH/c19-16(14-4-2-1-3-5-14)10-17(24)21-15-11-20-23(12-15)13-18(25)22-6-8-26-9-7-22;/h1-5,11-12,16H,6-10,13,19H2,(H,21,24);1H
InChIKeyGPUCHRHDMWPUPV-UHFFFAOYSA-N
MW393.88 g/mol
LogP1.19
Rot. Bonds6

About 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951973) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
PubChem CID119951973
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC Name3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C18H23N5O3.ClH/c19-16(14-4-2-1-3-5-14)10-17(24)21-15-11-20-23(12-15)13-18(25)22-6-8-26-9-7-22;/h1-5,11-12,16H,6-10,13,19H2,(H,21,24);1H
InChIKeyGPUCHRHDMWPUPV-UHFFFAOYSA-N
XLogP1.19
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
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3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
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CID 119950805
1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride (CID 119951973) is 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride?
The InChIKey is GPUCHRHDMWPUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c19-16(14-4-2-1-3-5-14)10-17(24)21-15-11-20-23(12-15)13-18(25)22-6-8-26-9-7-22;/h1-5,11-12,16H,6-10,13,19H2,(H,21,24);1H.
What are the key properties of 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).