2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide

C18H26N6O2 — CID 120597193

IUPAC2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide
SMILESCN(C)CCNC(=O)Cn1cc(NC(=O)C(C)(N)c2ccccc2)cn1
InChIInChI=1S/C18H26N6O2/c1-18(19,14-7-5-4-6-8-14)17(26)22-15-11-21-24(12-15)13-16(25)20-9-10-23(2)3/h4-8,11-12H,9-10,13,19H2,1-3H3,(H,20,25)(H,22,26)
InChIKeyCKJHERRQCWNDIN-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.37
Rot. Bonds8

About 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide

2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide (PubChem CID 120597193) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide
PubChem CID120597193
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide
SMILESCN(C)CCNC(=O)Cn1cc(NC(=O)C(C)(N)c2ccccc2)cn1
InChIInChI=1S/C18H26N6O2/c1-18(19,14-7-5-4-6-8-14)17(26)22-15-11-21-24(12-15)13-16(25)20-9-10-23(2)3/h4-8,11-12H,9-10,13,19H2,1-3H3,(H,20,25)(H,22,26)
InChIKeyCKJHERRQCWNDIN-UHFFFAOYSA-N
XLogP0.37
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119954060
2-amino-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
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2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120593181
2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide
CID 71991698
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CID 167773289
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N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942368
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 60616207
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide (CID 120597193) is 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide is CN(C)CCNC(=O)Cn1cc(NC(=O)C(C)(N)c2ccccc2)cn1.
What is the InChIKey of 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide?
The InChIKey is CKJHERRQCWNDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-18(19,14-7-5-4-6-8-14)17(26)22-15-11-21-24(12-15)13-16(25)20-9-10-23(2)3/h4-8,11-12H,9-10,13,19H2,1-3H3,(H,20,25)(H,22,26).
What are the key properties of 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide?
2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide has a molecular weight of 358.45 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide is sourced from PubChem (CID 120597193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).