N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H26N6O — CID 96575326

IUPACN-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@H](CCn1cncn1)c1ccccc1
InChIInChI=1S/C20H26N6O/c1-15-18(16(2)25(3)24-15)9-10-20(27)23-19(17-7-5-4-6-8-17)11-12-26-14-21-13-22-26/h4-8,13-14,19H,9-12H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyBHAPGJZWBZWNGE-LJQANCHMSA-N
MW366.47 g/mol
LogP2.51
Rot. Bonds8

About N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 96575326) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID96575326
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@H](CCn1cncn1)c1ccccc1
InChIInChI=1S/C20H26N6O/c1-15-18(16(2)25(3)24-15)9-10-20(27)23-19(17-7-5-4-6-8-17)11-12-26-14-21-13-22-26/h4-8,13-14,19H,9-12H2,1-3H3,(H,23,27)/t19-/m1/s1
InChIKeyBHAPGJZWBZWNGE-LJQANCHMSA-N
XLogP2.51
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
N-(2-amino-1-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120567448
(3R)-3-(3,4-dimethoxyphenyl)-3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 97209272
N-[(1R)-1-phenylbut-3-ynyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 97057406
4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201392
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70737078

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 96575326) is N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)N[C@H](CCn1cncn1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is BHAPGJZWBZWNGE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N6O/c1-15-18(16(2)25(3)24-15)9-10-20(27)23-19(17-7-5-4-6-8-17)11-12-26-14-21-13-22-26/h4-8,13-14,19H,9-12H2,1-3H3,(H,23,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 96575326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).