N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C14H20N6O — CID 95156635

IUPACN-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H](C)c2nnc3n2CCC3)n1
InChIInChI=1S/C14H20N6O/c1-9-7-10(2)20(18-9)8-13(21)15-11(3)14-17-16-12-5-4-6-19(12)14/h7,11H,4-6,8H2,1-3H3,(H,15,21)/t11-/m0/s1
InChIKeyPHKKERQEDMGLMK-NSHDSACASA-N
MW288.36 g/mol
LogP0.92
Rot. Bonds4

About N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 95156635) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID95156635
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H](C)c2nnc3n2CCC3)n1
InChIInChI=1S/C14H20N6O/c1-9-7-10(2)20(18-9)8-13(21)15-11(3)14-17-16-12-5-4-6-19(12)14/h7,11H,4-6,8H2,1-3H3,(H,15,21)/t11-/m0/s1
InChIKeyPHKKERQEDMGLMK-NSHDSACASA-N
XLogP0.92
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide with MolForge

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
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1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928514
3-(3,5-Dimethylpyrazol-1-yl)-1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72142805
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 72149514
N-{3-Cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-7-YL}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 91910745
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 71922699
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 90651873
3,5-dimethyl-1-({5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}methyl)-1H-pyrazole
CID 137967249
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(7S)-3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
CID 164634112
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 45819130
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91922572
2-(3,5-dimethylpyrazol-1-yl)-1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 91956822

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 95156635) is N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)N[C@@H](C)c2nnc3n2CCC3)n1.
What is the InChIKey of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is PHKKERQEDMGLMK-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-7-10(2)20(18-9)8-13(21)15-11(3)14-17-16-12-5-4-6-19(12)14/h7,11H,4-6,8H2,1-3H3,(H,15,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 288.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 95156635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).