N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide

C14H22N6O — CID 125446560

IUPACN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@H](CC)c1ncnn1CC
InChIInChI=1S/C14H22N6O/c1-4-9-20-12(7-8-16-20)14(21)18-11(5-2)13-15-10-17-19(13)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyCOXACYLAAZBYKA-LLVKDONJSA-N
MW290.37 g/mol
LogP1.79
Rot. Bonds7

About N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide

N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide (PubChem CID 125446560) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
PubChem CID125446560
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N[C@H](CC)c1ncnn1CC
InChIInChI=1S/C14H22N6O/c1-4-9-20-12(7-8-16-20)14(21)18-11(5-2)13-15-10-17-19(13)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyCOXACYLAAZBYKA-LLVKDONJSA-N
XLogP1.79
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 125435535
N-[(1S)-1-(4-methylphenyl)propyl]-2-propylpyrazole-3-carboxamide
CID 35531288
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
CID 125448522
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
2-[4-[1-(2-ethyl-1,2,4-triazol-3-yl)propylcarbamoyl]phenyl]pyridine-4-carboxylic acid
CID 121497701
2-[4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]pyridine-4-carboxylic acid
CID 126428746
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
(E)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 122571400

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide (CID 125446560) is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)N[C@H](CC)c1ncnn1CC.
What is the InChIKey of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide?
The InChIKey is COXACYLAAZBYKA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-9-20-12(7-8-16-20)14(21)18-11(5-2)13-15-10-17-19(13)6-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide?
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 125446560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).