(1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H24N8O — CID 97116928

IUPAC(1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)cn1
InChIInChI=1S/C18H24N8O/c1-3-25-12-15(10-20-25)18(27)24-8-4-6-14(11-24)17-22-21-16(23(17)2)13-26-9-5-7-19-26/h5,7,9-10,12,14H,3-4,6,8,11,13H2,1-2H3/t14-/m1/s1
InChIKeyMIIOIESBDQQOHU-CQSZACIVSA-N
MW368.45 g/mol
LogP1.30
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 97116928) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID97116928
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name(1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)cn1
InChIInChI=1S/C18H24N8O/c1-3-25-12-15(10-20-25)18(27)24-8-4-6-14(11-24)17-22-21-16(23(17)2)13-26-9-5-7-19-26/h5,7,9-10,12,14H,3-4,6,8,11,13H2,1-2H3/t14-/m1/s1
InChIKeyMIIOIESBDQQOHU-CQSZACIVSA-N
XLogP1.30
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-ethylpyrazol-4-yl)-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97210152
(2-hydroxyphenyl)-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97208763
[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridazin-3-ylmethanone
CID 97124823
(2-amino-4-pyridinyl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97198778
(1-ethylpyrazol-4-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72891051
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 97154995
[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 72883657
(2,5-dimethylfuran-3-yl)-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72927455
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 97211159
3-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97190806
(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97142614
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72913339

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 97116928) is (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is MIIOIESBDQQOHU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N8O/c1-3-25-12-15(10-20-25)18(27)24-8-4-6-14(11-24)17-22-21-16(23(17)2)13-26-9-5-7-19-26/h5,7,9-10,12,14H,3-4,6,8,11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 368.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97116928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).